 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer08_STD_wB97XD_def2SVPD.in
 Output=12_L-valine_conformer08_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-24063.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     24068.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer08_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer08_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.412250000000     -0.293817000000     -0.659732000000
  C                                                 1.052491000000     -0.579308000000     -0.023478000000
  C                                                -0.027034000000      0.388733000000     -0.598813000000
  C                                                -1.390463000000     -0.046113000000     -0.106970000000
  O                                                -1.821402000000     -1.161736000000     -0.736457000000
  C                                                 1.133559000000     -0.529563000000      1.500987000000
  N                                                 0.135122000000      1.799703000000     -0.297606000000
  O                                                -2.020824000000      0.489404000000      0.767388000000
  H                                                -0.021936000000      0.253255000000     -1.684416000000
  H                                                 0.747954000000     -1.585935000000     -0.324216000000
  H                                                -2.672285000000     -1.401673000000     -0.337129000000
  H                                                -0.239600000000      2.012406000000      0.618715000000
  H                                                 1.104748000000      2.081912000000     -0.335804000000
  H                                                 1.429701000000      0.463432000000      1.845535000000
  H                                                 0.179505000000     -0.772294000000      1.970784000000
  H                                                 1.877624000000     -1.240196000000      1.864259000000
  H                                                 2.361305000000     -0.338696000000     -1.749450000000
  H                                                 2.788843000000      0.693074000000     -0.378253000000
  H                                                 3.151277000000     -1.024146000000     -0.326187000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528159   0.000000
     3  C    2.533711   1.559964   0.000000
     4  C    3.850653   2.501858   1.513255   0.000000
     5  O    4.322381   3.017751   2.375428   1.351509   0.000000
     6  C    2.521772   1.527429   2.568930   3.031491   3.759999
     7  N    3.114366   2.564450   1.451846   2.402247   3.576408
     8  O    4.722526   3.348564   2.419057   1.203593   2.242227
     9  H    2.697133   2.146222   1.094036   2.109697   2.477681
    10  H    2.133547   1.093839   2.139001   2.644064   2.636566
    11  H    5.213819   3.827351   3.204900   1.879783   0.970069
    12  H    3.739706   2.966293   2.040557   2.467510   3.796547
    13  H    2.731040   2.679994   2.053524   3.287390   4.386813
    14  H    2.795566   2.173201   2.846488   3.467742   4.458422
    15  H    3.483347   2.185504   2.827273   2.703553   3.388871
    16  H    2.748088   2.163601   3.513952   3.998996   4.522463
    17  H    1.091831   2.179419   2.749051   4.105984   4.381619
    18  H    1.093164   2.181683   2.840851   4.252833   4.982267
    19  H    1.091235   2.166660   3.488870   4.651022   4.991472
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.107619   0.000000
     8  O    3.395084   2.738467   0.000000
     9  H    3.477753   2.083125   3.172170   0.000000
    10  H    2.143823   3.440758   3.628328   2.413606   0.000000
    11  H    4.315518   4.258157   2.284848   3.402693   3.425223
    12  H    3.020857   1.012573   2.348275   2.906269   3.848693
    13  H    3.192872   1.010582   3.677270   2.536170   3.685178
    14  H    1.091995   2.838064   3.615135   3.822562   3.061454
    15  H    1.090801   3.429684   2.807399   3.801686   2.500434
    16  H    1.091146   4.117154   4.403696   4.293229   2.486989
    17  H    3.479818   3.411230   5.120867   2.456516   2.487931
    18  H    2.786817   2.876346   4.948421   3.130492   3.059743
    19  H    2.766652   4.131844   5.498852   3.680465   2.468111
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.299713   0.000000
    13  H    5.138224   1.650215   0.000000
    14  H    5.006888   2.586692   2.735564   0.000000
    15  H    3.722269   3.123827   3.784563   1.762299   0.000000
    16  H    5.057060   4.075958   4.058820   1.761628   1.764621
    17  H    5.334941   4.230909   3.071917   3.799370   4.334559
    18  H    5.849237   3.450514   2.183311   2.616340   3.804461
    19  H    5.835796   4.648821   3.719673   3.145328   3.764430
                   16         17         18         19
    16  H    0.000000
    17  H    3.755735   0.000000
    18  H    3.097856   1.768479   0.000000
    19  H    2.543015   1.766232   1.755823   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.83D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9403174           1.4385027           1.3450378
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.6814012426 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0121619694 Hartrees.
 Nuclear repulsion after empirical dispersion term =      408.6692392732 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               7.1 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  4.66D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               3.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer08_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.985182272869    
 DIIS: error= 3.21D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.985182272869     IErMin= 1 ErrMin= 3.21D-03
 ErrMax= 3.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-02 BMatP= 1.13D-02
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.21D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.399 Goal=   None    Shift=    0.000
 GapD=    0.399 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.39D-03 MaxDP=4.65D-01              OVMax= 1.67D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.26D-03    CP:  1.07D+00
 E= -401.994411991998     Delta-E=       -0.009229719130 Rises=F Damp=F
 DIIS: error= 9.87D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.994411991998     IErMin= 2 ErrMin= 9.87D-04
 ErrMax= 9.87D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.86D-04 BMatP= 1.13D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.87D-03
 Coeff-Com: -0.907D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.898D-02 0.101D+01
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=9.81D-04 MaxDP=5.35D-02 DE=-9.23D-03 OVMax= 6.83D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.73D-04    CP:  1.08D+00  1.14D+00
 E= -401.994735976926     Delta-E=       -0.000323984928 Rises=F Damp=F
 DIIS: error= 6.21D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.994735976926     IErMin= 3 ErrMin= 6.21D-04
 ErrMax= 6.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.95D-04 BMatP= 3.86D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.21D-03
 Coeff-Com: -0.481D-01 0.477D+00 0.571D+00
 Coeff-En:   0.000D+00 0.230D-01 0.977D+00
 Coeff:     -0.478D-01 0.475D+00 0.573D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=2.51D-04 MaxDP=2.17D-02 DE=-3.24D-04 OVMax= 2.03D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.21D-04    CP:  1.08D+00  1.17D+00  1.09D+00
 E= -401.994941103608     Delta-E=       -0.000205126682 Rises=F Damp=F
 DIIS: error= 7.91D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.994941103608     IErMin= 4 ErrMin= 7.91D-05
 ErrMax= 7.91D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.50D-06 BMatP= 2.95D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.124D-01 0.645D-01 0.132D+00 0.816D+00
 Coeff:     -0.124D-01 0.645D-01 0.132D+00 0.816D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=8.05D-05 MaxDP=5.71D-03 DE=-2.05D-04 OVMax= 8.59D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.24D-05    CP:  1.08D+00  1.18D+00  1.17D+00  1.23D+00
 E= -401.994947604982     Delta-E=       -0.000006501373 Rises=F Damp=F
 DIIS: error= 5.44D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.994947604982     IErMin= 5 ErrMin= 5.44D-05
 ErrMax= 5.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-06 BMatP= 6.50D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.201D-02-0.409D-01-0.380D-01 0.325D+00 0.752D+00
 Coeff:      0.201D-02-0.409D-01-0.380D-01 0.325D+00 0.752D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=3.09D-05 MaxDP=2.42D-03 DE=-6.50D-06 OVMax= 4.61D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.21D-05    CP:  1.08D+00  1.18D+00  1.20D+00  1.32D+00  1.10D+00
 E= -401.994949391573     Delta-E=       -0.000001786591 Rises=F Damp=F
 DIIS: error= 1.04D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.994949391573     IErMin= 6 ErrMin= 1.04D-05
 ErrMax= 1.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.26D-08 BMatP= 1.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.128D-02-0.175D-01-0.189D-01 0.772D-01 0.262D+00 0.696D+00
 Coeff:      0.128D-02-0.175D-01-0.189D-01 0.772D-01 0.262D+00 0.696D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=9.38D-06 MaxDP=1.14D-03 DE=-1.79D-06 OVMax= 1.43D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.48D-06    CP:  1.08D+00  1.18D+00  1.21D+00  1.36D+00  1.20D+00
                    CP:  1.19D+00
 E= -401.994949488266     Delta-E=       -0.000000096694 Rises=F Damp=F
 DIIS: error= 5.79D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.994949488266     IErMin= 7 ErrMin= 5.79D-06
 ErrMax= 5.79D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-08 BMatP= 9.26D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.200D-03-0.301D-03-0.114D-02-0.278D-01-0.228D-01 0.335D+00
 Coeff-Com:  0.717D+00
 Coeff:      0.200D-03-0.301D-03-0.114D-02-0.278D-01-0.228D-01 0.335D+00
 Coeff:      0.717D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=4.87D-06 MaxDP=6.31D-04 DE=-9.67D-08 OVMax= 9.27D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.30D-06    CP:  1.08D+00  1.18D+00  1.21D+00  1.38D+00  1.26D+00
                    CP:  1.34D+00  1.33D+00
 E= -401.994949519344     Delta-E=       -0.000000031078 Rises=F Damp=F
 DIIS: error= 2.05D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.994949519344     IErMin= 8 ErrMin= 2.05D-06
 ErrMax= 2.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-09 BMatP= 2.55D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-03 0.264D-02 0.266D-02-0.231D-01-0.497D-01 0.104D-01
 Coeff-Com:  0.295D+00 0.762D+00
 Coeff:     -0.116D-03 0.264D-02 0.266D-02-0.231D-01-0.497D-01 0.104D-01
 Coeff:      0.295D+00 0.762D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=2.33D-06 MaxDP=3.26D-04 DE=-3.11D-08 OVMax= 4.36D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.56D-07    CP:  1.08D+00  1.18D+00  1.21D+00  1.39D+00  1.28D+00
                    CP:  1.42D+00  1.54D+00  1.23D+00
 E= -401.994949523858     Delta-E=       -0.000000004513 Rises=F Damp=F
 DIIS: error= 5.87D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.994949523858     IErMin= 9 ErrMin= 5.87D-07
 ErrMax= 5.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-10 BMatP= 3.39D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.635D-04 0.993D-03 0.108D-02-0.563D-02-0.156D-01-0.372D-01
 Coeff-Com:  0.312D-01 0.281D+00 0.744D+00
 Coeff:     -0.635D-04 0.993D-03 0.108D-02-0.563D-02-0.156D-01-0.372D-01
 Coeff:      0.312D-01 0.281D+00 0.744D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=1.13D-06 MaxDP=1.54D-04 DE=-4.51D-09 OVMax= 1.43D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.88D-07    CP:  1.08D+00  1.18D+00  1.21D+00  1.39D+00  1.29D+00
                    CP:  1.44D+00  1.65D+00  1.37D+00  1.23D+00
 E= -401.994949524336     Delta-E=       -0.000000000478 Rises=F Damp=F
 DIIS: error= 2.08D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.994949524336     IErMin=10 ErrMin= 2.08D-07
 ErrMax= 2.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-11 BMatP= 3.04D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.330D-05-0.595D-04-0.568D-04 0.130D-02 0.218D-02-0.970D-02
 Coeff-Com: -0.257D-01-0.303D-01 0.149D+00 0.913D+00
 Coeff:     -0.330D-05-0.595D-04-0.568D-04 0.130D-02 0.218D-02-0.970D-02
 Coeff:     -0.257D-01-0.303D-01 0.149D+00 0.913D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=3.27D-07 MaxDP=4.00D-05 DE=-4.78D-10 OVMax= 5.44D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.41D-08    CP:  1.08D+00  1.18D+00  1.21D+00  1.39D+00  1.29D+00
                    CP:  1.45D+00  1.68D+00  1.43D+00  1.35D+00  1.10D+00
 E= -401.994949524386     Delta-E=       -0.000000000050 Rises=F Damp=F
 DIIS: error= 5.37D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.994949524386     IErMin=11 ErrMin= 5.37D-08
 ErrMax= 5.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-12 BMatP= 2.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.539D-05-0.121D-03-0.131D-03 0.104D-02 0.241D-02 0.436D-03
 Coeff-Com: -0.114D-01-0.379D-01-0.215D-01 0.311D+00 0.756D+00
 Coeff:      0.539D-05-0.121D-03-0.131D-03 0.104D-02 0.241D-02 0.436D-03
 Coeff:     -0.114D-01-0.379D-01-0.215D-01 0.311D+00 0.756D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=9.21D-08 MaxDP=1.08D-05 DE=-4.99D-11 OVMax= 1.16D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.79D-08    CP:  1.08D+00  1.18D+00  1.21D+00  1.39D+00  1.29D+00
                    CP:  1.45D+00  1.69D+00  1.45D+00  1.39D+00  1.19D+00
                    CP:  1.20D+00
 E= -401.994949524381     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 1.85D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -401.994949524386     IErMin=12 ErrMin= 1.85D-08
 ErrMax= 1.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-13 BMatP= 2.90D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.169D-05-0.255D-04-0.274D-04 0.136D-03 0.397D-03 0.983D-03
 Coeff-Com: -0.242D-03-0.603D-02-0.209D-01-0.167D-01 0.187D+00 0.856D+00
 Coeff:      0.169D-05-0.255D-04-0.274D-04 0.136D-03 0.397D-03 0.983D-03
 Coeff:     -0.242D-03-0.603D-02-0.209D-01-0.167D-01 0.187D+00 0.856D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=2.04D-08 MaxDP=1.40D-06 DE= 4.55D-12 OVMax= 3.75D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.05D-09    CP:  1.08D+00  1.18D+00  1.21D+00  1.39D+00  1.29D+00
                    CP:  1.45D+00  1.69D+00  1.45D+00  1.40D+00  1.20D+00
                    CP:  1.35D+00  1.15D+00
 E= -401.994949524400     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 4.99D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -401.994949524400     IErMin=13 ErrMin= 4.99D-09
 ErrMax= 4.99D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-14 BMatP= 2.22D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.269D-06 0.831D-05 0.921D-05-0.855D-04-0.184D-03 0.747D-04
 Coeff-Com:  0.107D-02 0.322D-02-0.128D-02-0.342D-01-0.534D-01 0.144D+00
 Coeff-Com:  0.940D+00
 Coeff:     -0.269D-06 0.831D-05 0.921D-05-0.855D-04-0.184D-03 0.747D-04
 Coeff:      0.107D-02 0.322D-02-0.128D-02-0.342D-01-0.534D-01 0.144D+00
 Coeff:      0.940D+00
 Gap=     0.395 Goal=   None    Shift=    0.000
 RMSDP=6.28D-09 MaxDP=4.54D-07 DE=-1.84D-11 OVMax= 1.37D-07

 SCF Done:  E(RwB97XD) =  -401.994949524     A.U. after   13 cycles
            NFock= 13  Conv=0.63D-08     -V/T= 2.0106
 KE= 3.977906362622D+02 PE=-1.753913039965D+03 EE= 5.454582149048D+02
 Leave Link  502 at Fri Aug 13 10:48:52 2021, MaxMem=  5368709120 cpu:             810.3 elap:             101.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.29893589D+02

 Leave Link  801 at Fri Aug 13 10:48:52 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.07D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.33D-01 4.64D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 2.01D-02 2.27D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.87D-03 1.07D-02.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 9.52D-05 3.17D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 3.37D-06 3.83D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 1.43D-07 5.28D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 3.11D-09 8.24D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 5.85D-11 8.97D-07.
      8 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 8.68D-13 1.39D-07.
      5 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 1.16D-14 1.44D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.859180D+02
      2  0.104710D+00  0.753602D+02
      3 -0.258708D+01  0.218819D+01  0.736878D+02
 Isotropic polarizability for W=    0.088559       78.32 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.697601D+02 -0.221533D+02  0.134635D+01
      2  -0.383946D+02  0.220259D+02 -0.819092D+01
      3  -0.313655D+02  0.127420D+00  0.684456D+01
      4  -0.248369D+02  0.446814D+02 -0.183983D+02
      5   0.101631D+02 -0.207386D+02  0.587425D+02
      6  -0.520415D+01  0.294277D+01 -0.773713D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.216691D+01  0.795535D+00 -0.727292D+00
      2   0.573768D+01 -0.665603D+01  0.293697D+02
      3   0.661587D+01 -0.247442D+02  0.767968D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.234029D+01  0.111337D+02  0.786455D+01
      2  -0.881670D+01 -0.131942D+02  0.901080D+02
      3  -0.268358D+01 -0.830759D+02  0.155345D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.732431D-01 -0.134368D+01 -0.824523D+00
      2  -0.134368D+01 -0.542158D+00 -0.277383D+00
      3  -0.824523D+00 -0.277383D+00 -0.527847D+00
 OR G Eigenvalues:    -2.0505    -0.2833     1.1906  Iso=     0.3811
 Eigenvectors:
   (1)   0.622539   0.637929   0.453311
   (2)  -0.072370  -0.529836   0.845007
   (3)   0.779235  -0.558856  -0.283677
 w=    0.088559 a.u., Optical Rotation Beta=      0.3811 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      164.95 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 1.74D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.67D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 3.56D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 3.52D-02 3.62D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.72D-03 5.42D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 2.42D-05 7.18D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 2.57D-07 5.42D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 1.99D-09 4.87D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 1.32D-11 5.08D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 8.18D-14 4.74D-08.
      1 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 6.19D-16 3.74D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 7.18D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 7.18D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.52D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.859180D+02  0.104710D+00 -0.258708D+01
      2   0.104710D+00  0.753602D+02  0.218819D+01
      3  -0.258708D+01  0.218819D+01  0.736878D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.216691D+01  0.795535D+00 -0.727292D+00
      2   0.573768D+01 -0.665603D+01  0.293697D+02
      3   0.661587D+01 -0.247442D+02  0.767968D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.697601D+02 -0.221533D+02  0.134635D+01
      2  -0.383946D+02  0.220259D+02 -0.819092D+01
      3  -0.313655D+02  0.127420D+00  0.684456D+01
      4  -0.248369D+02  0.446814D+02 -0.183983D+02
      5   0.101631D+02 -0.207386D+02  0.587425D+02
      6  -0.520415D+01  0.294277D+01 -0.773713D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.327640D+00  0.220976D+01 -0.326912D+01  0.360249D+01 -0.426266D+01
      2   0.220976D+01 -0.392735D+01  0.138840D+00 -0.426266D+01 -0.247702D+01
      3  -0.326912D+01  0.138840D+00  0.971047D+00 -0.138391D-01 -0.191026D+01
                 6             7             8             9            10 
      1  -0.138391D-01 -0.436769D+01  0.527139D+00 -0.680274D-01  0.182835D+01
      2  -0.191026D+01  0.527139D+00 -0.216972D+01  0.329564D+00 -0.256030D+01
      3   0.406690D+00 -0.680274D-01  0.329564D+00  0.673173D+01  0.379832D+01
                11            12            13            14            15 
      1  -0.256030D+01  0.379832D+01 -0.591806D+01  0.412120D+01  0.220461D+00
      2   0.379232D+01  0.276814D+00  0.412120D+01  0.378345D+01  0.274279D+01
      3   0.276814D+00 -0.347462D+00  0.220461D+00  0.274279D+01  0.205107D+00
                16            17            18            19            20 
      1   0.625594D+01 -0.391101D+00  0.852846D-01 -0.440913D+01  0.406148D+01
      2  -0.391101D+00  0.299153D+01  0.239893D+00  0.406148D+01 -0.164781D+01
      3   0.852846D-01  0.239893D+00 -0.467694D+01 -0.115104D+01  0.429355D+00
                21            22            23            24            25 
      1  -0.115104D+01  0.668259D+01 -0.148763D+01 -0.183761D+00 -0.321610D+01
      2   0.429355D+00 -0.148763D+01 -0.516825D-01 -0.442857D+00  0.529951D+00
      3  -0.312333D+00 -0.183761D+00 -0.442857D+00  0.180099D+01 -0.785736D+00
                26            27            28            29            30 
      1   0.529951D+00 -0.785736D+00  0.184815D+01 -0.253620D+01 -0.101890D+01
      2  -0.183957D+01  0.198844D+01 -0.253620D+01  0.812609D+00  0.164562D+01
      3   0.198844D+01  0.608871D+01 -0.101890D+01  0.164562D+01  0.765838D+00
                31            32            33            34            35 
      1  -0.335222D+01 -0.165702D+00  0.184505D+01 -0.446425D+01  0.151190D+01
      2  -0.165702D+00 -0.315732D+00  0.484635D+00  0.151190D+01 -0.359172D+00
      3   0.184505D+01  0.484635D+00 -0.112755D+01  0.175114D+01 -0.104840D+01
                36            37            38            39            40 
      1   0.175114D+01  0.457017D+01  0.165664D+01 -0.170516D+01  0.104492D+00
      2  -0.104840D+01  0.165664D+01  0.163476D+01 -0.730523D+00  0.131117D+00
      3  -0.313869D+01 -0.170516D+01 -0.730523D+00  0.222877D+00 -0.959517D+00
                41            42            43            44            45 
      1   0.131117D+00 -0.959517D+00 -0.350895D+01 -0.174778D+01 -0.101364D+01
      2  -0.322156D+01 -0.163916D+01 -0.174778D+01 -0.221915D+01 -0.146508D+01
      3  -0.163916D+01 -0.836943D+00 -0.101364D+01 -0.146508D+01 -0.274396D+01
                46            47            48            49            50 
      1   0.125661D+01  0.297264D+01 -0.413200D+01  0.301751D+01 -0.320380D+01
      2   0.297264D+01 -0.299290D+01  0.132135D+00 -0.320380D+01 -0.238007D+01
      3  -0.413200D+01  0.132135D+00  0.658075D+00  0.477636D-01 -0.309394D+01
                51            52            53            54            55 
      1   0.477636D-01 -0.356720D+01 -0.124948D-01  0.335626D+00 -0.347884D+01
      2  -0.309394D+01 -0.124948D-01 -0.261590D+01 -0.103612D+00 -0.703800D+00
      3   0.244884D+00  0.335626D+00 -0.103612D+00  0.330030D+01  0.314613D-01
                56            57            58            59            60 
      1  -0.703800D+00  0.314613D-01 -0.192329D+01 -0.582308D+00  0.142398D+00
      2  -0.662020D+00 -0.341327D-01 -0.582308D+00  0.422415D+01 -0.147287D+01
      3  -0.341327D-01  0.123722D+01  0.142398D+00 -0.147287D+01 -0.126182D+01
                61            62            63            64            65 
      1  -0.218112D+00 -0.535426D+00  0.763147D+00 -0.649283D+01  0.229479D+01
      2  -0.535426D+00 -0.102160D+01 -0.506062D+00  0.229479D+01 -0.202675D+01
      3   0.763147D+00 -0.506062D+00 -0.354609D+01  0.291312D+01 -0.134203D+01
                66            67            68            69            70 
      1   0.291312D+01  0.412007D+01 -0.198779D+01 -0.114068D+01  0.619460D+01
      2  -0.134203D+01 -0.198779D+01  0.391621D+01  0.187794D+01 -0.856168D+00
      3  -0.206968D+01 -0.114068D+01  0.187794D+01  0.176568D+01 -0.297732D+01
                71            72            73            74            75 
      1  -0.856168D+00 -0.297732D+01  0.609459D+00 -0.740443D+00 -0.106636D+01
      2   0.255212D+01  0.214379D+01 -0.740443D+00  0.382099D+00  0.230274D-01
      3   0.214379D+01  0.628272D+01 -0.106636D+01  0.230274D-01  0.182246D+00
                76            77            78            79            80 
      1  -0.120488D+01  0.222220D+00  0.675174D-01 -0.137999D+01 -0.963425D-01
      2   0.222220D+00 -0.232121D+00 -0.124195D+01 -0.963425D-01 -0.162472D+01
      3   0.675174D-01 -0.124195D+01 -0.717425D+00  0.185171D+00 -0.754515D+00
                81            82            83            84            85 
      1   0.185171D+00 -0.127067D+01 -0.973958D+00 -0.971804D+00 -0.114637D+01
      2  -0.754515D+00 -0.973958D+00 -0.142145D+01 -0.130753D+00 -0.121901D+01
      3  -0.862011D+01 -0.971804D+00 -0.130753D+00 -0.409198D+00 -0.843465D-01
                86            87            88            89            90 
      1  -0.121901D+01 -0.843465D-01 -0.129648D+01 -0.112330D+00 -0.206937D+00
      2  -0.773186D+01 -0.155783D+01 -0.112330D+00 -0.169780D+01 -0.156240D+01
      3  -0.155783D+01 -0.166784D+01 -0.206937D+00 -0.156240D+01 -0.570501D+00
                91            92            93            94            95 
      1  -0.729153D+01 -0.350445D+01  0.240646D+00 -0.211167D+01 -0.177199D+01
      2  -0.350445D+01 -0.280424D+01 -0.157443D-01 -0.177199D+01 -0.219399D+01
      3   0.240646D+00 -0.157443D-01 -0.108532D+01  0.172371D+00 -0.231608D-01
                96            97            98            99           100 
      1   0.172371D+00  0.246711D+01  0.138338D+01 -0.960113D+00 -0.110278D+01
      2  -0.231608D-01  0.138338D+01  0.108283D+01 -0.581238D+00  0.185426D+00
      3  -0.605335D+00 -0.960113D+00 -0.581238D+00  0.313876D+00  0.557789D+00
               101           102           103           104           105 
      1   0.185426D+00  0.557789D+00  0.471224D+00 -0.336529D+00 -0.167131D+00
      2  -0.129501D+01 -0.343818D+00 -0.336529D+00  0.146771D+01  0.913849D+00
      3  -0.343818D+00 -0.161727D+01 -0.167131D+00  0.913849D+00  0.170040D+01
               106           107           108           109           110 
      1   0.152497D+01 -0.887063D-01 -0.955900D+00  0.559472D+01  0.226668D+01
      2  -0.887063D-01  0.221345D+01  0.186671D+01  0.226668D+01  0.265609D+01
      3  -0.955900D+00  0.186671D+01  0.385336D+01 -0.412691D+00  0.107740D+00
               111           112           113           114           115 
      1  -0.412691D+00  0.225856D+01  0.117401D+01  0.271146D+00 -0.753681D+00
      2   0.107740D+00  0.117401D+01  0.190868D+01 -0.881403D-01  0.251783D+00
      3   0.682009D+00  0.271146D+00 -0.881403D-01  0.700668D+00  0.350227D+00
               116           117           118           119           120 
      1   0.251783D+00  0.350227D+00  0.926608D+00  0.685816D+00  0.107495D+01
      2  -0.407775D+00  0.556272D+00  0.685816D+00  0.130719D+01  0.510326D+00
      3   0.556272D+00 -0.288014D+00  0.107495D+01  0.510326D+00  0.856102D+00
               121           122           123           124           125 
      1   0.134835D+01  0.123622D+01  0.874863D+00  0.841233D+00  0.393858D+00
      2   0.123622D+01  0.487001D+01  0.192340D+01  0.393858D+00  0.158138D+01
      3   0.874863D+00  0.192340D+01  0.296775D+01  0.490866D+00  0.140680D+01
               126           127           128           129           130 
      1   0.490866D+00 -0.490189D+01 -0.115835D+01  0.227384D+01 -0.118576D+01
      2   0.140680D+01 -0.115835D+01 -0.105173D+01  0.872362D+00 -0.540270D+00
      3   0.162729D+01  0.227384D+01  0.872362D+00 -0.325326D+01  0.506981D+00
               131           132           133           134           135 
      1  -0.540270D+00  0.506981D+00  0.198403D+01  0.499027D+00 -0.182966D+01
      2  -0.685105D+00  0.112961D+01  0.499027D+00  0.934381D+00 -0.691588D+00
      3   0.112961D+01 -0.981344D+00 -0.182966D+01 -0.691588D+00  0.258738D+01
               136           137           138           139           140 
      1   0.383602D+01 -0.243599D+01  0.240186D+01 -0.272677D+01  0.241119D+01
      2  -0.243599D+01  0.245626D+01 -0.134630D+01  0.241119D+01 -0.316827D+01
      3   0.240186D+01 -0.134630D+01  0.231082D+01 -0.136340D+01  0.217518D+01
               141           142           143           144           145 
      1  -0.136340D+01  0.144850D+01 -0.901554D+00  0.152443D+01  0.198523D-01
      2   0.217518D+01 -0.901554D+00  0.146623D+01 -0.146724D+01 -0.193094D+00
      3  -0.232216D+01  0.152443D+01 -0.146724D+01  0.189385D+01 -0.680354D+00
               146           147           148           149           150 
      1  -0.193094D+00 -0.680354D+00 -0.493775D+00  0.681351D+00  0.645429D-01
      2   0.207092D+00  0.398662D-03  0.681351D+00  0.196014D-02 -0.876592D+00
      3   0.398662D-03 -0.727416D-01  0.645429D-01 -0.876592D+00 -0.382813D+00
               151           152           153           154           155 
      1  -0.193771D+01  0.129400D+00  0.183642D+01  0.213073D+01  0.145564D+01
      2   0.129400D+00 -0.114032D+01 -0.296563D+00  0.145564D+01  0.203167D+01
      3   0.183642D+01 -0.296563D+00 -0.931466D+01  0.424928D+00  0.894060D-01
               156           157           158           159           160 
      1   0.424928D+00  0.313041D+01  0.234538D+01 -0.152719D+00  0.145592D+01
      2   0.894060D-01  0.234538D+01  0.527609D+01  0.538846D+00  0.320221D+00
      3   0.422660D+00 -0.152719D+00  0.538846D+00  0.127147D+01  0.499757D+00
               161           162           163           164           165 
      1   0.320221D+00  0.499757D+00  0.599937D+01 -0.298229D+01  0.690517D+00
      2   0.118064D+01  0.755041D+00 -0.298229D+01  0.254917D+01 -0.282734D+00
      3   0.755041D+00  0.286392D-01  0.690517D+00 -0.282734D+00  0.858376D+00
               166           167           168           169           170 
      1  -0.467290D+01  0.323500D+01 -0.147695D+00  0.253788D+01 -0.804756D+00
      2   0.323500D+01 -0.299085D+01  0.560501D+00 -0.804756D+00  0.109317D+01
      3  -0.147695D+00  0.560501D+00 -0.116041D+01  0.975275D+00 -0.809817D+00
               171 
      1   0.975275D+00
      2  -0.809817D+00
      3   0.191111D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.319382D+01  0.333483D+01  0.459392D+00  0.428366D+01  0.122719D+01
      2  -0.806051D+01  0.211403D+01  0.100605D+01  0.316880D+01 -0.875967D+01
      3  -0.624267D+01  0.839058D+01  0.117384D+01  0.153002D+02  0.990090D+01
                 6             7             8             9            10 
      1  -0.481429D+00  0.607077D+00  0.328917D+01  0.118511D+01  0.342405D+01
      2   0.818798D+00 -0.808270D+01  0.120794D+01  0.197679D+02  0.713889D+01
      3   0.398503D+01 -0.106281D+01  0.596732D+01 -0.999025D+00  0.542381D+00
                11            12            13            14            15 
      1  -0.954894D+00  0.126583D+00 -0.745616D+00  0.384237D+01 -0.492934D+01
      2  -0.143537D+01  0.429083D+01 -0.395113D+01  0.414492D+01 -0.822611D-01
      3  -0.377376D+01 -0.170309D+01  0.191624D+01 -0.109460D+02 -0.295909D+01
                16            17            18            19            20 
      1  -0.576401D+00  0.178045D+01 -0.260331D+01 -0.254912D+01 -0.252126D+00
      2  -0.248125D+01  0.898040D+00 -0.448505D+01 -0.217052D+01  0.201602D+01
      3  -0.898078D+00 -0.228912D+01 -0.766520D+00  0.754542D+01 -0.598881D+01
                21            22            23            24            25 
      1  -0.154110D+01  0.206461D+01 -0.180711D+00  0.222381D+01 -0.271702D+01
      2   0.213432D+01  0.565642D+01 -0.167958D+01  0.213261D+01 -0.716401D+01
      3   0.755878D+00  0.126268D+01  0.735320D+00 -0.863739D+00 -0.193189D+01
                26            27            28            29            30 
      1   0.481482D+01 -0.218890D+01  0.130044D+01  0.359153D+01  0.187804D+01
      2   0.103271D+01 -0.171353D+01 -0.510549D+01 -0.146169D+01 -0.498519D+01
      3   0.104888D+01  0.358942D+00 -0.925333D+01  0.277459D+01 -0.159337D+01
                31            32            33            34            35 
      1   0.246687D+00 -0.825765D+01 -0.638769D+00  0.715681D+00  0.190651D+01
      2   0.276986D+01  0.176117D+01 -0.157352D-01 -0.938107D+01  0.391593D+00
      3   0.356923D+01  0.398165D+01 -0.196691D+01 -0.555435D+01 -0.666490D+01
                36            37            38            39            40 
      1   0.700233D+01 -0.287791D+01 -0.737813D+00 -0.513226D+00 -0.761212D-01
      2   0.909042D+01  0.562569D+01  0.267934D+01  0.931545D+00 -0.246813D+01
      3  -0.208059D+01 -0.618597D+00 -0.867534D+00  0.758492D+00  0.568105D+01
                41            42            43            44            45 
      1   0.251246D+01 -0.436612D+01  0.259080D+01  0.353090D+01 -0.316789D+01
      2   0.239005D+01  0.220268D+01 -0.491389D+01  0.122869D+01  0.581919D+01
      3  -0.754997D+01 -0.226765D+01  0.246747D+01 -0.240773D+01 -0.270773D+01
                46            47            48            49            50 
      1   0.264629D+01 -0.535906D+01  0.421329D+00 -0.571654D+01 -0.707473D+01
      2  -0.963052D+01 -0.572461D+01  0.123967D+02 -0.413959D+01  0.151052D+01
      3  -0.489902D+01  0.106880D+00  0.197786D+01  0.431369D+01  0.556105D+01
                51            52            53            54            55 
      1  -0.923252D+01 -0.143737D+00 -0.339752D+01  0.291201D+01  0.128642D+01
      2  -0.208289D+00  0.559833D+01  0.195717D+00  0.244524D+01 -0.204448D+01
      3   0.380641D+01  0.192646D+01  0.326305D+01  0.150633D+00 -0.130578D+02
                56            57            58            59            60 
      1   0.226955D+01 -0.260625D+01  0.300400D+00 -0.223386D+01 -0.335878D+01
      2   0.133052D+00  0.250635D+01 -0.856192D+00 -0.184251D+00 -0.123619D+01
      3  -0.690640D+01 -0.564149D+00  0.491138D+01 -0.607294D+00  0.666422D+00
                61            62            63            64            65 
      1  -0.201334D+01  0.680216D+01  0.991578D+01 -0.630891D+00 -0.312593D+01
      2  -0.187742D+01 -0.152971D+00  0.997049D+00 -0.167369D+01  0.232839D+01
      3  -0.252166D+01 -0.157708D+01  0.339839D+01  0.227728D+01 -0.853564D+01
                66            67            68            69            70 
      1   0.123100D+01  0.646240D+00  0.277352D+01 -0.319992D+01 -0.172233D+00
      2   0.946489D+01  0.909177D+00 -0.486535D+01 -0.349434D+01  0.106083D+01
      3  -0.724006D+00  0.869582D+00  0.624883D+01  0.379226D+01  0.380671D+01
                71            72            73            74            75 
      1   0.509140D+01 -0.255491D+01  0.455429D+00 -0.459252D+00  0.338224D+00
      2  -0.354847D+01 -0.138967D+02  0.706811D+00 -0.598006D+00 -0.108671D+00
      3   0.766112D+01  0.355053D+01 -0.185347D+00 -0.451751D-01 -0.476971D+00
                76            77            78            79            80 
      1  -0.590179D+00  0.741418D+00  0.119377D-01  0.367719D+00  0.356708D+01
      2  -0.104132D+01  0.149135D+00 -0.254034D+00 -0.430675D+01 -0.118267D-01
      3   0.150861D+01 -0.152125D+00 -0.211803D+00  0.469820D+00 -0.240042D+00
                81            82            83            84            85 
      1   0.160330D+01 -0.118930D+01  0.837599D-01 -0.608498D+00 -0.234272D+00
      2   0.522680D+00 -0.163019D+01 -0.251846D+00  0.689560D-01 -0.522208D+00
      3  -0.523357D-01  0.345293D+01  0.149558D+01  0.108004D+01  0.555808D+01
                86            87            88            89            90 
      1   0.285122D+00 -0.386470D+01 -0.123624D+00  0.220497D+00 -0.368273D+00
      2  -0.153722D+01 -0.138066D+01 -0.195479D+01 -0.158774D+01 -0.480427D+00
      3   0.865075D+01  0.189708D+01  0.193770D+01  0.173940D+01  0.178568D+01
                91            92            93            94            95 
      1   0.321700D+01  0.193838D+01 -0.174908D+01  0.182963D+01  0.170115D+01
      2  -0.530635D+01 -0.275413D+01  0.355724D+01 -0.231928D+01 -0.161101D+01
      3   0.169477D+01 -0.341551D+01 -0.601303D+00  0.142586D+00 -0.191559D+01
                96            97            98            99           100 
      1  -0.894280D+00 -0.171164D+01 -0.679739D+00  0.119177D+01 -0.178686D+01
      2   0.152374D+01  0.276858D+01  0.165604D+01 -0.222017D+01  0.541783D+00
      3   0.427035D-01  0.392948D-01  0.164736D+01 -0.301765D+00 -0.244379D+01
               101           102           103           104           105 
      1   0.686422D-01  0.412524D+01 -0.241009D-02 -0.196888D+01 -0.460911D+01
      2   0.558004D+00  0.819502D-01  0.408193D+00  0.143824D+00  0.494344D-01
      3  -0.800543D+00  0.146603D+01  0.573662D+00 -0.840992D+00 -0.299772D+00
               106           107           108           109           110 
      1   0.277035D+01 -0.308936D+01 -0.115203D+02 -0.566051D+00 -0.153876D+01
      2  -0.218773D+01  0.180165D-01 -0.105398D+01  0.234062D+01  0.622325D+00
      3   0.475165D+01 -0.304853D+00 -0.311121D+01  0.159443D+02  0.183037D+01
               111           112           113           114           115 
      1  -0.244948D+01 -0.121144D+01 -0.584870D+00 -0.135952D+01 -0.747685D+00
      2   0.173269D+01  0.656192D+00  0.396223D+00  0.988048D+00 -0.907663D+00
      3  -0.554377D+00  0.473956D+01  0.180755D+01  0.774117D+00 -0.150475D+01
               116           117           118           119           120 
      1   0.227868D+00 -0.563632D+00  0.193991D+01  0.283846D+01  0.108643D+01
      2   0.485970D+00  0.116915D+00  0.219797D+00 -0.578501D+00  0.557702D+00
      3   0.578301D+00  0.303980D+00 -0.694110D+00 -0.277782D+01 -0.100726D+01
               121           122           123           124           125 
      1   0.236718D+01  0.128033D+02  0.265346D+01  0.133018D+01  0.489784D+01
      2  -0.242105D+01  0.282556D+00  0.320948D+01 -0.211517D+01  0.947169D+00
      3   0.132911D+00 -0.794688D+01 -0.228695D+01 -0.587797D+00 -0.183864D+01
               126           127           128           129           130 
      1   0.314449D+01 -0.214789D+00 -0.244160D+01 -0.124499D+01 -0.929536D+00
      2   0.106491D+01  0.150967D+02  0.298609D+01 -0.571884D+01  0.272036D+01
      3  -0.219099D+01  0.526921D+01  0.179961D+00 -0.191646D+01  0.233747D+01
               131           132           133           134           135 
      1  -0.790323D-01  0.261945D+00 -0.390097D+00  0.244480D+01  0.532232D+00
      2   0.219244D+01 -0.168034D+01 -0.799578D+01 -0.182281D+01  0.535317D+01
      3   0.665039D+00 -0.143208D+01 -0.186475D+01 -0.531358D+00  0.191670D+01
               136           137           138           139           140 
      1  -0.256114D+01  0.446113D+01  0.419492D+00  0.336563D+01 -0.450598D+01
      2  -0.405485D+01  0.244198D+01  0.120034D+01  0.389970D+01 -0.129723D+01
      3  -0.289084D+00 -0.314689D+01  0.270035D+00  0.350793D+00  0.320870D+01
               141           142           143           144           145 
      1   0.350051D+00 -0.618734D+00  0.271308D+01 -0.690151D+00 -0.176245D+00
      2  -0.154669D+01 -0.255525D+01  0.310520D-01  0.312850D+00 -0.238233D+01
      3  -0.198783D+01 -0.478855D+00 -0.183453D+01  0.801121D+00  0.745521D+00
               146           147           148           149           150 
      1  -0.102800D+00 -0.575821D-01 -0.497010D+00 -0.330656D+00 -0.236470D+00
      2  -0.113351D+00  0.361876D+00 -0.297795D+00 -0.122334D+01 -0.892031D+00
      3  -0.118131D+01  0.273284D+00 -0.752149D+00 -0.593314D+00  0.194443D+01
               151           152           153           154           155 
      1   0.423196D+00  0.372396D+01 -0.273189D+01 -0.107959D+01 -0.173358D+01
      2  -0.614485D+00 -0.626526D+00 -0.229744D+02  0.270367D+01  0.157683D+01
      3   0.503959D+00  0.318490D+01  0.288919D+00 -0.448346D+01 -0.683952D+01
               156           157           158           159           160 
      1  -0.773973D+00 -0.177751D+01 -0.391473D+01 -0.243008D+01 -0.328248D+00
      2   0.238099D+01  0.156911D+01  0.400956D+01  0.448479D+01  0.957669D+00
      3  -0.401428D+00 -0.411879D+01 -0.179405D+02 -0.208811D+01 -0.386267D+00
               161           162           163           164           165 
      1   0.278252D+00 -0.989975D+00  0.255618D+01 -0.188048D+01  0.145846D+01
      2   0.223422D+01  0.774315D+00  0.639152D+01 -0.344388D+01  0.498721D+01
      3  -0.397792D+01 -0.207661D+01  0.464331D+01 -0.818123D+01  0.692397D+00
               166           167           168           169           170 
      1  -0.202991D+01  0.214993D+01 -0.274711D+01  0.789846D+00 -0.439987D+00
      2  -0.374112D+01  0.417726D+01 -0.461902D+01  0.319163D+01 -0.262922D+01
      3  -0.533590D+01  0.778525D+01 -0.183800D+01  0.888136D+00 -0.342414D+01
               171 
      1   0.986766D+00
      2   0.185317D+01
      3   0.173188D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.858498D+00  0.118928D+02 -0.168920D+02  0.133534D+02 -0.257087D+02
      2  -0.659284D+01 -0.419778D+01  0.794259D+01 -0.448464D+01  0.768637D+01
      3   0.573434D+01 -0.769503D+01  0.894938D+01 -0.886881D+01  0.180223D+02
      4   0.150276D+02 -0.229475D+02  0.272385D+01 -0.302436D+02 -0.995750D+01
      5  -0.181530D+02 -0.599409D+00  0.618373D+01 -0.127933D+01 -0.757497D+01
      6   0.582023D+00  0.268164D+01 -0.786487D+00  0.222129D+01  0.377299D+01
                 6             7             8             9            10 
      1  -0.258438D+00 -0.208627D+02  0.265599D+01  0.125699D+02 -0.919216D+01
      2   0.124565D+01  0.663347D+01  0.200676D+00  0.794857D+01  0.410414D+00
      3  -0.987211D+00  0.142293D+02 -0.285667D+01 -0.205185D+02  0.878174D+01
      4  -0.956072D+01  0.518661D+01 -0.121751D+02  0.229592D+01 -0.534351D+01
      5   0.126784D+01  0.272790D+01  0.148839D+01  0.287256D+02  0.141758D+02
      6   0.151913D+01  0.200362D+00  0.173985D+01 -0.659246D+01 -0.435697D+01
                11            12            13            14            15 
      1  -0.174817D+01  0.123562D+02 -0.235047D+01  0.178736D+02  0.371702D+01
      2  -0.857722D+00 -0.844834D+01  0.166382D+00 -0.216609D+02 -0.542446D+01
      3   0.260589D+01 -0.390787D+01  0.218409D+01  0.378728D+01  0.170744D+01
      4   0.825741D+01 -0.232333D+01  0.157465D+02  0.284973D+01  0.410535D+01
      5   0.402514D+00 -0.217170D+01  0.606706D+00  0.421519D+01  0.223282D+00
      6  -0.292491D-01  0.395724D+00  0.164477D+00 -0.852113D+01  0.269969D+01
                16            17            18            19            20 
      1   0.156780D+02  0.117352D+01  0.225718D+01 -0.351025D+01 -0.143797D+01
      2  -0.769296D+01 -0.395197D+01 -0.139167D+01  0.719836D+01 -0.152970D+01
      3  -0.798502D+01  0.277845D+01 -0.865502D+00 -0.368811D+01  0.296767D+01
      4  -0.434287D+01  0.505668D+01  0.964191D+00  0.232691D+00 -0.124460D+01
      5  -0.126054D+01  0.130716D+01 -0.113573D+02 -0.455356D+01 -0.757916D+00
      6  -0.411421D+00 -0.185893D+01  0.373319D+01  0.128875D+01 -0.150991D+00
                21            22            23            24            25 
      1  -0.202118D+01  0.279908D+01 -0.217542D+00  0.118069D+01 -0.733467D+01
      2   0.347722D+01 -0.404762D+01 -0.395494D+00  0.319624D+01  0.370069D+01
      3  -0.145605D+01  0.124854D+01  0.613036D+00 -0.437694D+01  0.363399D+01
      4   0.609121D+00 -0.104284D+02  0.335024D+01 -0.156268D+01  0.296518D+01
      5   0.197308D+01  0.408260D+00  0.892700D+00  0.356159D+01  0.198950D+01
      6  -0.105350D+00 -0.232351D+01  0.336661D+01 -0.611709D+01 -0.939653D+00
                26            27            28            29            30 
      1   0.565635D+01  0.823032D+01 -0.820729D+01  0.841844D+01  0.228936D+00
      2  -0.222527D+01  0.157865D+02  0.355330D+01 -0.616405D+01 -0.373048D+01
      3  -0.343108D+01 -0.240168D+02  0.465399D+01 -0.225439D+01  0.350155D+01
      4  -0.121386D+00 -0.145253D+01  0.725239D+01 -0.941523D+01 -0.783817D+01
      5  -0.491402D+00  0.160429D+00  0.701643D+01 -0.742055D+01 -0.123229D+02
      6   0.418770D+01 -0.107066D+01 -0.488246D+01  0.110468D+01 -0.215032D+01
                31            32            33            34            35 
      1   0.132878D+02  0.345818D+01 -0.376918D+01  0.153034D+02 -0.217417D+01
      2  -0.764583D+01 -0.613597D+01  0.832303D+01 -0.859405D+01 -0.359684D+01
      3  -0.564194D+01  0.267779D+01 -0.455385D+01 -0.670939D+01  0.577101D+01
      4  -0.516923D+01 -0.235005D+01 -0.477389D+00 -0.100264D+02  0.761540D+01
      5  -0.157459D+02  0.192477D+00 -0.296285D+01 -0.115691D+02  0.134012D+01
      6  -0.285957D+01 -0.674090D+01 -0.218870D+01 -0.913044D+00 -0.216532D+01
                36            37            38            39            40 
      1  -0.681837D+01 -0.163983D+02 -0.771079D+01  0.721036D+01 -0.634367D+01
      2   0.570591D+01  0.318530D+01  0.304769D+01 -0.439871D+01  0.272662D+01
      3   0.111247D+01  0.132130D+02  0.466310D+01 -0.281165D+01  0.361705D+01
      4   0.380378D+01 -0.139935D+02 -0.324850D+01  0.606950D+01  0.557480D+01
      5   0.150271D+02  0.754599D+01  0.362194D+01  0.752370D+01  0.780601D+01
      6  -0.547977D+01  0.521786D+01  0.238104D+01  0.140560D+01  0.541829D+01
                41            42            43            44            45 
      1  -0.151629D+02 -0.119410D+01  0.124351D+02  0.130245D+01 -0.428457D+01
      2   0.205853D+02  0.213562D+00 -0.491668D+01  0.242303D+01 -0.401619D+01
      3  -0.542238D+01  0.980538D+00 -0.751847D+01 -0.372548D+01  0.830076D+01
      4   0.143641D+02  0.730893D+01  0.135639D+02  0.109615D+02  0.496065D+01
      5   0.748171D+01  0.753687D+01  0.117856D+02  0.783102D+01  0.144457D+02
      6   0.859751D+01  0.941678D+01  0.301576D+01  0.981962D+01  0.882874D+01
                46            47            48            49            50 
      1   0.115553D+02  0.626861D+01 -0.105678D+02  0.524611D+01 -0.405680D+01
      2  -0.843971D+00  0.609906D-01  0.258701D+01  0.250930D+00  0.957213D+01
      3  -0.107114D+02 -0.632960D+01  0.798076D+01 -0.549704D+01 -0.551533D+01
      4   0.568645D+01 -0.133447D+02  0.827978D+01 -0.148993D+02 -0.212704D+01
      5  -0.498849D+01  0.976455D+01 -0.113050D+02  0.791528D+01 -0.177557D+02
      6   0.150616D+02 -0.106386D+02 -0.298902D+00 -0.120859D+02 -0.509563D+01
                51            52            53            54            55 
      1   0.954620D+00 -0.983646D+01 -0.363177D+00 -0.749225D+01  0.145078D+01
      2   0.312243D+01  0.242005D+01  0.229871D+01 -0.598706D+01 -0.334921D+01
      3  -0.407705D+01  0.741641D+01 -0.193553D+01  0.134793D+02  0.189843D+01
      4  -0.111846D+02  0.665565D+01 -0.817103D+01 -0.599259D-01 -0.178313D+02
      5   0.584007D+00 -0.113899D+02 -0.671995D+00  0.996516D+01  0.554819D+01
      6  -0.133902D+02 -0.202416D+00 -0.979745D+01 -0.840047D+00 -0.160563D+01
                56            57            58            59            60 
      1  -0.410019D+00  0.135808D+01 -0.251922D+01 -0.203746D+02  0.357393D+01
      2  -0.388576D+01 -0.127520D+01  0.480485D+00  0.307312D+02 -0.565733D+01
      3   0.429578D+01 -0.828811D-01  0.203873D+01 -0.103566D+02  0.208341D+01
      4  -0.165639D+01 -0.223192D+01  0.307732D+01 -0.428751D+01  0.905823D+00
      5  -0.131324D+01  0.388983D+01 -0.135395D+00  0.271352D-01 -0.273882D+01
      6   0.182369D+00  0.358024D+01  0.118273D+01 -0.678909D+01  0.649138D+01
                61            62            63            64            65 
      1   0.820416D+00  0.612269D+01 -0.725488D+00  0.344817D+02 -0.857487D+01
      2  -0.283334D+01 -0.423676D+01 -0.596676D+01 -0.185995D+02  0.306635D+01
      3   0.201292D+01 -0.188593D+01  0.669225D+01 -0.158822D+02  0.550851D+01
      4  -0.279800D+01  0.345089D+00  0.290332D+01 -0.140068D+02  0.174210D+02
      5   0.334597D+01  0.504982D-02  0.145474D+01 -0.170851D+02  0.745430D+01
      6   0.249597D+01  0.136078D+01 -0.169068D+02  0.229808D+01 -0.294096D+01
                66            67            68            69            70 
      1  -0.885285D+01 -0.132616D+02  0.103763D+01  0.101014D+01 -0.155160D+02
      2   0.942028D+01  0.542174D+01  0.513569D+01 -0.218759D+01  0.104019D+02
      3  -0.567423D+00  0.783983D+01 -0.617332D+01  0.117744D+01  0.511406D+01
      4   0.754533D+01  0.158284D+02 -0.165042D+02 -0.908987D+01  0.542333D+01
      5   0.193867D+02  0.750772D+01 -0.930372D+01 -0.679420D+01  0.217915D+02
      6  -0.184442D+01 -0.398373D+01  0.355921D+01  0.767194D+01 -0.310336D+01
                71            72            73            74            75 
      1  -0.405433D+00  0.197190D+01  0.101459D+01  0.288165D+00 -0.613780D-01
      2   0.348431D+00 -0.146132D+02 -0.483687D+01  0.243350D+00  0.123139D+00
      3   0.570022D-01  0.126413D+02  0.382229D+01 -0.531515D+00 -0.617614D-01
      4  -0.132747D+02 -0.105487D+02 -0.397856D+00  0.163462D+01 -0.373231D+00
      5  -0.885415D+01 -0.294744D+02 -0.373540D-01  0.357330D+00  0.606650D+01
      6   0.769871D+01  0.411692D+01 -0.297907D+00  0.451465D+00 -0.357582D+00
                76            77            78            79            80 
      1   0.715502D+00 -0.338933D+01 -0.103182D+01  0.113695D+01  0.186464D+00
      2   0.208978D+00 -0.104651D+01 -0.275995D+01  0.168215D+00 -0.406644D+01
      3  -0.924480D+00  0.443584D+01  0.379177D+01 -0.130516D+01  0.387998D+01
      4   0.233441D+01 -0.241215D+00  0.349736D+00  0.107826D+00 -0.266875D-03
      5   0.382083D+00 -0.170774D+00 -0.255791D+00  0.536518D+01  0.265073D-01
      6   0.620863D+00  0.572027D+00  0.689244D+01  0.790513D+00  0.479327D+01
                81            82            83            84            85 
      1  -0.190517D+02 -0.729645D+00 -0.395538D+01 -0.245771D+01 -0.531730D+01
      2  -0.187745D+02  0.395839D+01  0.515781D+01  0.208153D+01  0.559071D+01
      3   0.378262D+02 -0.322874D+01 -0.120244D+01  0.376182D+00 -0.273415D+00
      4   0.958269D+00  0.897381D+00  0.358405D+01  0.947100D+00  0.287672D+01
      5   0.440465D+00 -0.156141D+01  0.794487D+00  0.995176D+00  0.126053D+01
      6  -0.151323D+01  0.176488D+01  0.153567D+01  0.845736D+00  0.117193D+01
                86            87            88            89            90 
      1  -0.191093D+02 -0.268899D+01 -0.368931D+01 -0.382822D+01 -0.490424D+01
      2   0.302997D+02  0.540922D+01  0.235259D+01  0.429879D+01  0.318612D+01
      3  -0.111904D+02 -0.272023D+01  0.133672D+01 -0.470575D+00  0.171811D+01
      4  -0.934448D+01 -0.198529D+01  0.610515D+00 -0.218255D+01 -0.160271D+01
      5  -0.217470D+01 -0.328076D+01  0.208032D+01 -0.215406D+01 -0.119473D+00
      6   0.814468D+01  0.680580D+01  0.135305D+01  0.835084D+01  0.421297D+01
                91            92            93            94            95 
      1   0.356569D+02  0.137486D+02 -0.225177D+01  0.605716D+01  0.466629D+01
      2  -0.123858D+02 -0.227696D+01  0.587567D-02  0.808030D+00  0.239320D+01
      3  -0.232711D+02 -0.114716D+02  0.224589D+01 -0.686519D+01 -0.705949D+01
      4   0.266230D+02  0.176225D+02 -0.704915D+00  0.124534D+02  0.118232D+02
      5   0.265601D+01  0.161547D+01  0.498257D+01  0.556640D+00  0.881826D+00
      6  -0.102042D+01  0.213258D+00  0.228259D+01  0.331012D+00  0.362716D+00
                96            97            98            99           100 
      1  -0.612272D+00 -0.108410D+02 -0.501044D+01  0.327684D+01  0.190152D-01
      2  -0.280029D+00  0.327758D+01  0.474676D+00 -0.129761D+01  0.362397D+00
      3   0.892301D+00  0.756340D+01  0.453576D+01 -0.197923D+01 -0.381412D+00
      4  -0.409314D+00 -0.962626D+01 -0.663263D+01  0.413551D+01 -0.166869D+01
      5   0.212326D+01  0.511137D+01  0.275206D+01 -0.179259D+01 -0.781484D+00
      6   0.184739D+01  0.323811D+01  0.236190D+01 -0.141977D+01  0.267531D+01
               101           102           103           104           105 
      1   0.310247D+01  0.242050D+00  0.109499D+01 -0.388460D+01 -0.261968D+01
      2  -0.464846D+01 -0.131234D+01 -0.149582D+01  0.619736D+01  0.368289D+01
      3   0.154600D+01  0.107029D+01  0.400828D+00 -0.231276D+01 -0.106321D+01
      4   0.257399D+01  0.201555D+01  0.266832D+01 -0.156063D+01 -0.721810D+00
      5   0.454975D+00  0.780095D+00  0.484885D+00 -0.564604D+00  0.163078D+00
      6  -0.251072D+00 -0.586375D+01 -0.788200D+00  0.382146D+01  0.845954D+01
               106           107           108           109           110 
      1   0.828710D+00 -0.694264D+01 -0.808781D+01  0.545399D+01 -0.267736D+01
      2  -0.256847D+00  0.860195D+01  0.562588D+01  0.411376D+01  0.952881D+01
      3  -0.571863D+00 -0.165931D+01  0.246193D+01 -0.956775D+01 -0.685145D+01
      4   0.414158D+01 -0.788556D+00 -0.373207D+01  0.208031D+02  0.136776D+02
      5   0.127250D+01 -0.708658D+00 -0.317418D+00 -0.398535D+01 -0.940486D+00
      6  -0.465846D+01  0.103218D+02  0.161237D+02 -0.220299D+01 -0.767986D+00
               111           112           113           114           115 
      1  -0.111366D+01  0.580388D+00 -0.150483D+01  0.402317D+00 -0.156966D+01
      2   0.104134D+01  0.402438D+01  0.657397D+01 -0.583496D+00  0.209007D+01
      3   0.723248D-01 -0.460477D+01 -0.506914D+01  0.181179D+00 -0.520415D+00
      4  -0.113432D+01  0.113533D+02  0.811579D+01  0.101221D+01 -0.112227D+01
      5   0.251338D+01 -0.341378D+00 -0.471391D+00  0.140970D+01  0.318804D+01
      6   0.306621D+01  0.566752D+00 -0.656258D+00  0.282087D+01  0.155200D+01
               116           117           118           119           120 
      1   0.570306D+00 -0.713946D+00  0.228913D+01  0.209113D+01  0.166546D+01
      2   0.236438D+00  0.723964D+00 -0.308462D+01 -0.234846D+01 -0.309046D+01
      3  -0.806745D+00 -0.100184D-01  0.795490D+00  0.257326D+00  0.142501D+01
      4   0.647406D+00  0.185063D+01  0.353126D+01  0.645258D+01  0.142689D+01
      5   0.954029D+00 -0.939725D+00  0.573084D+01  0.392465D+01  0.740485D+01
      6   0.339376D+01 -0.384365D+00  0.203353D+01  0.503770D+01  0.203073D+01
               121           122           123           124           125 
      1   0.362969D+01 -0.287544D+01 -0.488254D+01  0.800943D+00 -0.274716D+01
      2  -0.400250D+01 -0.384047D+00 -0.656346D+01 -0.209763D+01 -0.345224D+01
      3   0.372811D+00  0.325948D+01  0.114460D+02  0.129669D+01  0.619940D+01
      4   0.639445D+01  0.132837D+02  0.653116D+01  0.749537D+00  0.445187D+01
      5   0.728933D+01  0.102557D+02  0.105131D+02  0.573052D+01  0.544040D+01
      6   0.557598D+01  0.180209D+02  0.996204D+01  0.227592D+01  0.919115D+01
               126           127           128           129           130 
      1  -0.373610D+01 -0.876678D+01 -0.526783D+01  0.126146D+02 -0.381813D+01
      2  -0.405755D+01  0.122045D+00  0.223659D+01  0.272920D+01  0.204751D+01
      3   0.779365D+01  0.864473D+01  0.303124D+01 -0.153438D+02  0.177062D+01
      4   0.401188D+01  0.559894D+01  0.320496D+01 -0.337097D+01  0.406668D+01
      5   0.589448D+01 -0.124812D+02 -0.359503D+01  0.561583D+01 -0.358421D+01
      6   0.659168D+01 -0.690062D+01 -0.573192D+01  0.702586D+01 -0.322295D+01
               131           132           133           134           135 
      1  -0.409375D+01  0.383704D+01  0.878862D+01  0.347291D+01 -0.108838D+02
      2   0.184317D+01 -0.935724D+00  0.153965D+01 -0.535293D+00 -0.404721D+01
      3   0.225058D+01 -0.290132D+01 -0.103283D+02 -0.293761D+01  0.149310D+02
      4   0.163203D+01  0.441706D+00 -0.254175D+01  0.139770D-01  0.209956D+01
      5   0.843268D-01  0.719754D+00  0.797754D+01  0.146717D+01 -0.475725D+01
      6  -0.384644D+01  0.675573D+01  0.431059D+01  0.599010D+01 -0.589232D+01
               136           137           138           139           140 
      1   0.113578D+02 -0.389533D+01  0.183083D+01 -0.494692D+01 -0.200790D+01
      2  -0.731560D+01  0.192106D+00 -0.567102D+01  0.626275D+00  0.528884D+01
      3  -0.404220D+01  0.370322D+01  0.384019D+01  0.432064D+01 -0.328094D+01
      4  -0.151613D+02  0.139635D+02 -0.826178D+01  0.144806D+02 -0.152918D+02
      5   0.189990D+02 -0.115851D+02  0.161529D+02 -0.126080D+02  0.127112D+02
      6  -0.109806D+02  0.113119D+02 -0.868343D+01  0.105106D+02 -0.145017D+02
               141           142           143           144           145 
      1   0.325076D+01  0.151447D+01  0.218965D+01 -0.186446D+01  0.372572D+00
      2   0.124180D+01 -0.417487D+01  0.103265D+01 -0.424625D+01 -0.231266D+01
      3  -0.449256D+01  0.266040D+01 -0.322230D+01  0.611071D+01  0.194009D+01
      4   0.901791D+01 -0.537538D+01  0.607198D+01 -0.710983D+01 -0.127567D+01
      5  -0.111595D+02  0.118818D+02 -0.768557D+01  0.112130D+02 -0.303916D+01
      6   0.128172D+02 -0.631379D+01  0.963932D+01 -0.930663D+01  0.773387D+00
               146           147           148           149           150 
      1  -0.142371D+01 -0.457026D+01 -0.188134D+01  0.604688D+00 -0.117350D+01
      2   0.541320D+00  0.237742D+01  0.612870D+00 -0.107881D+01  0.530827D+00
      3   0.882387D+00  0.219284D+01  0.126847D+01  0.474122D+00  0.642672D+00
      4   0.268149D+01  0.349894D+00  0.505140D+01 -0.756027D-01 -0.381137D+01
      5   0.174026D+00  0.585514D+01  0.722737D+00 -0.355029D+01 -0.139454D+01
      6   0.108980D+00  0.436352D+00 -0.118705D+01  0.130407D+01  0.625030D+01
               151           152           153           154           155 
      1  -0.788709D+01 -0.100380D+01 -0.125498D+02  0.152628D+02  0.884393D+01
      2   0.825172D+01  0.224266D+00 -0.195198D+02 -0.508306D+01 -0.283402D+01
      3  -0.364631D+00  0.779530D+00  0.320696D+02 -0.101798D+02 -0.600992D+01
      4   0.114647D+01 -0.561568D+01 -0.227145D+01  0.944525D+01  0.152076D+02
      5   0.150806D+02 -0.166061D+01 -0.440576D+02  0.126874D+01  0.263489D+00
      6  -0.182715D+01  0.656665D+01  0.778934D+01 -0.107946D+01 -0.225696D+01
               156           157           158           159           160 
      1   0.281328D+01  0.181872D+02  0.109138D+02  0.221430D+00  0.836456D+01
      2  -0.785384D+00 -0.776505D+01  0.273747D+01  0.142753D+01 -0.360837D+01
      3  -0.202790D+01 -0.104221D+02 -0.136513D+02 -0.164896D+01 -0.475618D+01
      4   0.104535D+01  0.185578D+02  0.290704D+02  0.298686D+01  0.255256D+01
      5   0.319626D+01 -0.192798D+01  0.287296D+01  0.785746D+01  0.360353D+01
      6   0.508343D+00 -0.169319D+01 -0.459321D+01  0.190574D+01  0.110621D+01
               161           162           163           164           165 
      1   0.167539D+01  0.459608D+00  0.415886D+02 -0.174131D+02  0.501929D+01
      2   0.338044D+00 -0.166778D+01 -0.157785D+02  0.459808D+01 -0.134894D+01
      3  -0.201344D+01  0.120817D+01 -0.258101D+02  0.128150D+02 -0.367035D+01
      4   0.624758D+01  0.426857D+01 -0.253147D+02  0.209358D+02 -0.258554D+01
      5   0.474967D+01  0.657635D+00  0.113809D+01 -0.427771D+00  0.696759D+01
      6   0.170264D+01  0.117324D+01  0.163168D+01 -0.224097D+01 -0.148716D+01
               166           167           168           169           170 
      1  -0.245825D+02  0.135913D+02 -0.137623D+01  0.135904D+02 -0.398948D+01
      2   0.661617D+01  0.213757D+01 -0.108354D+01 -0.493650D+01  0.128351D+00
      3   0.179663D+02 -0.157289D+02  0.245977D+01 -0.865390D+01  0.386113D+01
      4   0.261944D+02 -0.226443D+02  0.355631D+01 -0.727021D+01  0.755048D+01
      5   0.681959D+00  0.195085D+01 -0.737346D+01  0.720559D+01 -0.503043D+01
      6  -0.220693D+01  0.141044D+01  0.306783D+01 -0.186449D+01  0.206385D+01
               171 
      1   0.322163D+01
      2  -0.251652D+01
      3  -0.705114D+00
      4  -0.547509D+01
      5   0.224447D+01
      6  -0.975509D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:06:16 2021, MaxMem=  5368709120 cpu:            8334.0 elap:            1043.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32365 -19.26614 -14.43260 -10.44295 -10.34449
 Alpha  occ. eigenvalues --  -10.31573 -10.29796 -10.29220  -1.21457  -1.12188
 Alpha  occ. eigenvalues --   -0.99369  -0.89520  -0.81607  -0.78720  -0.70965
 Alpha  occ. eigenvalues --   -0.66502  -0.62265  -0.58970  -0.57779  -0.55701
 Alpha  occ. eigenvalues --   -0.53919  -0.53142  -0.50522  -0.50323  -0.47720
 Alpha  occ. eigenvalues --   -0.46772  -0.44272  -0.43577  -0.42711  -0.41699
 Alpha  occ. eigenvalues --   -0.37565  -0.32914
 Alpha virt. eigenvalues --    0.06613   0.07416   0.08735   0.11058   0.12225
 Alpha virt. eigenvalues --    0.13375   0.14224   0.14934   0.15572   0.16664
 Alpha virt. eigenvalues --    0.17412   0.18827   0.19338   0.19685   0.20824
 Alpha virt. eigenvalues --    0.22005   0.22133   0.23085   0.23950   0.24392
 Alpha virt. eigenvalues --    0.25084   0.25848   0.26855   0.27361   0.28317
 Alpha virt. eigenvalues --    0.28808   0.30132   0.30907   0.31729   0.32444
 Alpha virt. eigenvalues --    0.32569   0.34458   0.35019   0.36282   0.36745
 Alpha virt. eigenvalues --    0.37149   0.37968   0.38538   0.38982   0.39424
 Alpha virt. eigenvalues --    0.40449   0.41360   0.41645   0.42143   0.42700
 Alpha virt. eigenvalues --    0.43584   0.43871   0.45079   0.45332   0.46010
 Alpha virt. eigenvalues --    0.46412   0.46896   0.47741   0.48455   0.49243
 Alpha virt. eigenvalues --    0.49919   0.50396   0.51228   0.51991   0.52245
 Alpha virt. eigenvalues --    0.53326   0.53681   0.54707   0.55147   0.55539
 Alpha virt. eigenvalues --    0.56953   0.57723   0.58316   0.59136   0.59771
 Alpha virt. eigenvalues --    0.60136   0.60812   0.61532   0.61804   0.62472
 Alpha virt. eigenvalues --    0.63602   0.63935   0.64709   0.65944   0.66828
 Alpha virt. eigenvalues --    0.67154   0.67885   0.68761   0.69622   0.69859
 Alpha virt. eigenvalues --    0.71967   0.72241   0.74062   0.74494   0.75635
 Alpha virt. eigenvalues --    0.76779   0.78375   0.78579   0.79721   0.80778
 Alpha virt. eigenvalues --    0.81200   0.82282   0.82944   0.85053   0.86885
 Alpha virt. eigenvalues --    0.87437   0.88522   0.89294   0.90632   0.93929
 Alpha virt. eigenvalues --    0.95480   0.96713   1.00827   1.02141   1.03465
 Alpha virt. eigenvalues --    1.06266   1.06588   1.10434   1.11045   1.12523
 Alpha virt. eigenvalues --    1.13497   1.13753   1.15307   1.15835   1.16495
 Alpha virt. eigenvalues --    1.18443   1.24559   1.24783   1.25604   1.28708
 Alpha virt. eigenvalues --    1.30906   1.32067   1.33354   1.35064   1.38720
 Alpha virt. eigenvalues --    1.39343   1.43112   1.45161   1.47230   1.47941
 Alpha virt. eigenvalues --    1.49994   1.54834   1.56457   1.59320   1.60957
 Alpha virt. eigenvalues --    1.65459   1.66249   1.69016   1.70510   1.72203
 Alpha virt. eigenvalues --    1.75272   1.76910   1.79538   1.81735   1.84090
 Alpha virt. eigenvalues --    1.86709   1.87661   1.89987   1.90728   1.92769
 Alpha virt. eigenvalues --    1.93612   1.94175   1.95688   1.95971   1.99877
 Alpha virt. eigenvalues --    2.00742   2.03801   2.04292   2.07121   2.07532
 Alpha virt. eigenvalues --    2.10477   2.11811   2.12930   2.13431   2.15912
 Alpha virt. eigenvalues --    2.17294   2.19266   2.20635   2.22943   2.25702
 Alpha virt. eigenvalues --    2.26515   2.28313   2.30338   2.33025   2.35679
 Alpha virt. eigenvalues --    2.36586   2.40857   2.41122   2.43802   2.45160
 Alpha virt. eigenvalues --    2.49406   2.50542   2.51426   2.54616   2.59118
 Alpha virt. eigenvalues --    2.61977   2.65816   2.68470   2.70849   2.75188
 Alpha virt. eigenvalues --    2.75274   2.77223   2.77937   2.87738   2.94342
 Alpha virt. eigenvalues --    2.96143   2.99275   3.03884   3.06459   3.07545
 Alpha virt. eigenvalues --    3.08686   3.10147   3.14608   3.16163   3.21497
 Alpha virt. eigenvalues --    3.23775   3.25347   3.26891   3.29608   3.32492
 Alpha virt. eigenvalues --    3.35829   3.47492   3.52850   3.69763   3.74916
 Alpha virt. eigenvalues --    3.92339   4.04738
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.266806   0.298698  -0.033871   0.018216   0.007337  -0.034777
     2  C    0.298698   6.117131   0.036941   0.093665  -0.046109   0.414545
     3  C   -0.033871   0.036941   5.777279  -0.265926  -0.057609   0.023508
     4  C    0.018216   0.093665  -0.265926   5.344898   0.042970  -0.083658
     5  O    0.007337  -0.046109  -0.057609   0.042970   8.338204   0.012363
     6  C   -0.034777   0.414545   0.023508  -0.083658   0.012363   4.167543
     7  N    0.023193   0.148212  -0.657392   0.359167  -0.006120  -0.053319
     8  O    0.001848  -0.058456   0.063586   0.119444  -0.023303   0.009870
     9  H   -0.076367  -0.126055   0.501384  -0.305860  -0.024027   0.042370
    10  H   -0.056523   0.340823  -0.061636  -0.005066  -0.031000  -0.013960
    11  H   -0.000879   0.009805  -0.001142   0.128322   0.163610  -0.004285
    12  H   -0.004092  -0.080134   0.310026  -0.135372   0.001942   0.019515
    13  H   -0.016034  -0.081298   0.206393  -0.030712   0.002567   0.009819
    14  H   -0.007153   0.131547  -0.012674  -0.015121  -0.000100   0.211418
    15  H    0.011967   0.056122  -0.040029   0.016120  -0.001945   0.296846
    16  H   -0.011264   0.095106   0.025972  -0.000191   0.003155   0.172287
    17  H    0.381926  -0.009232  -0.014310   0.006185   0.002923   0.003728
    18  H    0.113169   0.183325  -0.037544   0.006789  -0.001937  -0.014989
    19  H    0.197739   0.130175   0.025332  -0.007240  -0.000088  -0.015701
               7          8          9         10         11         12
     1  C    0.023193   0.001848  -0.076367  -0.056523  -0.000879  -0.004092
     2  C    0.148212  -0.058456  -0.126055   0.340823   0.009805  -0.080134
     3  C   -0.657392   0.063586   0.501384  -0.061636  -0.001142   0.310026
     4  C    0.359167   0.119444  -0.305860  -0.005066   0.128322  -0.135372
     5  O   -0.006120  -0.023303  -0.024027  -0.031000   0.163610   0.001942
     6  C   -0.053319   0.009870   0.042370  -0.013960  -0.004285   0.019515
     7  N    9.237244  -0.220952  -0.541315   0.022205   0.009419  -0.542246
     8  O   -0.220952   8.485808   0.069324   0.000047  -0.069308   0.089709
     9  H   -0.541315   0.069324   1.368877   0.006349  -0.010019   0.068852
    10  H    0.022205   0.000047   0.006349   0.949395   0.002680  -0.005707
    11  H    0.009419  -0.069308  -0.010019   0.002680   0.579580  -0.000598
    12  H   -0.542246   0.089709   0.068852  -0.005707  -0.000598   1.103010
    13  H   -0.693212   0.043640   0.167392  -0.006489  -0.000782   0.142264
    14  H   -0.007211  -0.012003  -0.003342  -0.001178   0.000192   0.024518
    15  H   -0.006322   0.006537   0.003970  -0.012832  -0.002008  -0.004793
    16  H    0.003048   0.003019  -0.001636   0.028557  -0.000281  -0.001265
    17  H    0.016797  -0.000645  -0.035087  -0.009576   0.000005  -0.000748
    18  H   -0.008691   0.000399   0.014535   0.000427   0.000035  -0.002951
    19  H   -0.010115   0.001299   0.012778   0.021322  -0.000102   0.002057
              13         14         15         16         17         18
     1  C   -0.016034  -0.007153   0.011967  -0.011264   0.381926   0.113169
     2  C   -0.081298   0.131547   0.056122   0.095106  -0.009232   0.183325
     3  C    0.206393  -0.012674  -0.040029   0.025972  -0.014310  -0.037544
     4  C   -0.030712  -0.015121   0.016120  -0.000191   0.006185   0.006789
     5  O    0.002567  -0.000100  -0.001945   0.003155   0.002923  -0.001937
     6  C    0.009819   0.211418   0.296846   0.172287   0.003728  -0.014989
     7  N   -0.693212  -0.007211  -0.006322   0.003048   0.016797  -0.008691
     8  O    0.043640  -0.012003   0.006537   0.003019  -0.000645   0.000399
     9  H    0.167392  -0.003342   0.003970  -0.001636  -0.035087   0.014535
    10  H   -0.006489  -0.001178  -0.012832   0.028557  -0.009576   0.000427
    11  H   -0.000782   0.000192  -0.002008  -0.000281   0.000005   0.000035
    12  H    0.142264   0.024518  -0.004793  -0.001265  -0.000748  -0.002951
    13  H    1.205122   0.008738   0.003914  -0.000874  -0.010378   0.043281
    14  H    0.008738   0.650256   0.002278  -0.030225  -0.002678   0.017872
    15  H    0.003914   0.002278   0.749014  -0.046566  -0.002271  -0.003184
    16  H   -0.000874  -0.030225  -0.046566   0.748881   0.006129  -0.021890
    17  H   -0.010378  -0.002678  -0.002271   0.006129   0.750316  -0.062060
    18  H    0.043281   0.017872  -0.003184  -0.021890  -0.062060   0.847902
    19  H    0.002006  -0.011824   0.002726   0.017937  -0.063515  -0.039646
              19
     1  C    0.197739
     2  C    0.130175
     3  C    0.025332
     4  C   -0.007240
     5  O   -0.000088
     6  C   -0.015701
     7  N   -0.010115
     8  O    0.001299
     9  H    0.012778
    10  H    0.021322
    11  H   -0.000102
    12  H    0.002057
    13  H    0.002006
    14  H   -0.011824
    15  H    0.002726
    16  H    0.017937
    17  H   -0.063515
    18  H   -0.039646
    19  H    0.758329
 Mulliken charges:
               1
     1  C    0.920060
     2  C   -1.654811
     3  C    0.211712
     4  C    0.713370
     5  O   -0.382831
     6  C    0.836876
     7  N   -0.072390
     8  O   -0.509863
     9  H   -0.132122
    10  H   -0.167837
    11  H    0.195754
    12  H    0.016013
    13  H    0.004645
    14  H    0.056688
    15  H   -0.029545
    16  H    0.010100
    17  H    0.042491
    18  H   -0.034842
    19  H   -0.023467
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.904242
     2  C   -1.822648
     3  C    0.079590
     4  C    0.713370
     5  O   -0.187077
     6  C    0.874119
     7  N   -0.051733
     8  O   -0.509863
 Electronic spatial extent (au):  <R**2>=           1044.1976
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.6553    Y=             -1.7414    Z=             -0.1570  Tot=              2.4078
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.4113   YY=            -50.8785   ZZ=            -51.7517
   XY=              5.9526   XZ=              1.6891   YZ=              0.5364
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.6025   YY=             -0.8647   ZZ=             -1.7379
   XY=              5.9526   XZ=              1.6891   YZ=              0.5364
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -21.7904  YYY=             -6.4109  ZZZ=             -2.3731  XYY=             -2.0917
  XXY=            -14.3809  XXZ=             -7.0718  XZZ=              0.2250  YZZ=             -0.2438
  YYZ=              8.0649  XYZ=              1.5051
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -732.1270 YYYY=           -315.4463 ZZZZ=           -267.4973 XXXY=             54.2533
 XXXZ=             21.9042 YYYX=             27.8786 YYYZ=             20.0319 ZZZX=             -2.9329
 ZZZY=              4.8478 XXYY=           -154.8057 XXZZ=           -184.0077 YYZZ=           -100.4579
 XXYZ=             -4.5640 YYXZ=             -2.3804 ZZXY=              1.4558
 N-N= 4.086692392732D+02 E-N=-1.753913040444D+03  KE= 3.977906362622D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:06:17 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.04591913D-01-6.48839473D-01-5.52847422D-02
 Polarizability= 8.22684465D+01 7.08672778D-01 7.16520698D+01
                -2.79312531D+00 2.52988296D+00 6.99314743D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2935    1.2935        0.0521    0.0524
 2     -1.2935   -1.2935       -1.0947   -1.0941       -5.2787   -5.2789
 3     -0.0521   -0.0524        6.1140    6.1151        1.0946    1.0941
 4      1.0947    1.0941       -0.0000    0.0000       -0.0524   -0.0524
 5     -0.8352   -0.8362        0.0524    0.0524        1.2935    1.2935
 6     -1.0946   -1.0941       -1.2935   -1.2935       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.8806   -3.8806        0.1571    0.1571
 2      3.2823    3.2823        0.0000    0.0000        0.1571    0.1571
 3      3.2823    3.2823       -3.8806   -3.8806       -0.0000    0.0000
 4     -3.8806   -3.8806       -3.2823   -3.2823      -15.8367  -15.8367
 5     -0.1571   -0.1571       18.3452   18.3452        3.2823    3.2823
 6     -2.5086   -2.5086        0.1571    0.1571        3.8806    3.8806
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2433    0.0000       -5.1605   -5.1742       -0.0373   -0.2094
 2      5.2178    5.1742        4.6851    4.3764       20.8648   21.1155
 3     -0.0035    0.2094      -24.6188  -24.4603       -4.4132   -4.3764
 4     -4.8077   -4.3764        0.0197    0.0000        0.4057    0.2094
 5      3.5006    3.3448       -0.0066   -0.2094       -5.1287   -5.1742
 6      4.0895    4.3764        5.0452    5.1742       -0.0098    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0898    0.0000        5.9815    5.8886       -6.3158   -6.5332
 2     -6.2471   -5.8886        4.0137    4.6256        9.4022    8.9782
 3      6.0562    6.5332       19.5704   19.6932       -3.9180   -4.6256
 4     -4.3273   -4.6256        0.2388    0.0000        6.4763    6.5332
 5    -28.9562  -28.6714       -6.7343   -6.5332        5.2443    5.8886
 6      4.2676    4.6256       -6.1827   -5.8886       -0.0621    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.1557   -7.0291       16.7760   17.0998        7.2102    7.2203
 2    -13.7560  -14.0611       22.4828   22.2808        7.4339    7.2203
 3    -13.6499  -14.0611       17.2476   17.0998        9.4643    9.5373
 4     -5.3850   -5.1810        6.7220    7.0321       22.2535   21.7078
 5      1.9082    2.3170       35.7333   35.7495       -6.4204   -7.0321
 6    -57.8626  -57.4573       -2.2559   -2.3170        4.1723    5.1810
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0005    0.0007    0.0008    3.6031    6.8614    7.4295
 Low frequencies ---   55.9674   84.3057  177.0238
 Diagonal vibrational polarizability:
       22.7649292      24.8036039      20.1728203
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     55.9657                84.3054               177.0235
 Red. masses --      4.2165                 3.7206                 3.2649
 Frc consts  --      0.0078                 0.0156                 0.0603
 IR Inten    --      0.9726                 0.7299                 1.1156
 RamAct Fr= 1--      0.7376                 0.4567                 0.5520
  Dep-P Fr= 1--      0.7475                 0.7474                 0.6517
  Dep-U Fr= 1--      0.8555                 0.8554                 0.7891
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0010
 Beta2  Fr= 1--      0.1052                 0.0651                 0.0726
 AlphaG Fr= 1--     -0.0002                 0.0002                 0.0010
 Gamma2 Fr= 1--     -0.1599                 0.2694                 0.1495
 Delta2 Fr= 1--     -0.1703                 0.2881                 0.0631
 Raman1 Fr= 1--       2.950                  1.827                  2.208
 ROA1   Fr= 1--     -20.798                 35.079                 16.372
 CID1   Fr= 1--      -7.049                 19.202                  7.415
 Raman2 Fr= 1--       1.262                  0.781                  0.871
 ROA2   Fr= 1--      -2.474                  4.160                  3.083
 CID2   Fr= 1--      -1.960                  5.324                  3.540
 Raman3 Fr= 1--       2.524                  1.563                  1.742
 ROA3   Fr= 1--     -20.798                 35.079                 16.372
 CID3   Fr= 1--      -8.239                 22.447                  9.397
 RC180  Fr= 1--       0.711                  0.711                  0.578
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.13   0.03    -0.06  -0.15  -0.14    -0.04  -0.13   0.01
     2   6     0.00  -0.01  -0.09    -0.02   0.00   0.02    -0.10   0.04  -0.06
     3   6    -0.00   0.02  -0.02     0.00   0.05   0.08    -0.01   0.13  -0.07
     4   6     0.00   0.04   0.02    -0.02   0.01  -0.03     0.06   0.02  -0.00
     5   8     0.10  -0.13   0.24     0.13  -0.08   0.03     0.18  -0.05   0.04
     6   6    -0.09  -0.23  -0.08     0.13   0.09   0.01    -0.20   0.02  -0.05
     7   7     0.03   0.01  -0.00     0.01   0.02   0.21    -0.01   0.12  -0.01
     8   8    -0.08   0.19  -0.13    -0.17   0.06  -0.16     0.08  -0.10   0.09
     9   1    -0.05   0.03  -0.02     0.03   0.14   0.07    -0.02   0.18  -0.07
    10   1     0.06   0.02  -0.25    -0.12   0.01   0.11    -0.20   0.08  -0.07
    11   1     0.09  -0.09   0.24     0.09  -0.09  -0.07     0.26  -0.20   0.13
    12   1    -0.06   0.03  -0.04    -0.12  -0.03   0.17     0.17   0.05   0.08
    13   1     0.05  -0.03   0.09     0.03  -0.01   0.37    -0.02   0.15  -0.17
    14   1    -0.24  -0.24   0.08     0.35   0.06  -0.09     0.03  -0.05  -0.03
    15   1    -0.09  -0.41  -0.18     0.12   0.30   0.10    -0.30   0.27  -0.12
    16   1    -0.03  -0.19  -0.14     0.03  -0.03  -0.01    -0.41  -0.17   0.01
    17   1     0.09   0.35   0.02    -0.17  -0.30  -0.13     0.02  -0.23   0.01
    18   1     0.01   0.08   0.25     0.01  -0.12  -0.33     0.03  -0.14  -0.05
    19   1     0.02   0.07  -0.08    -0.06  -0.13  -0.11    -0.13  -0.18   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    216.1581               221.7042               246.4993
 Red. masses --      1.1650                 1.1832                 1.0428
 Frc consts  --      0.0321                 0.0343                 0.0373
 IR Inten    --     17.5011                16.6063                 4.8632
 RamAct Fr= 1--      0.2081                 0.1735                 0.0893
  Dep-P Fr= 1--      0.2630                 0.3284                 0.5460
  Dep-U Fr= 1--      0.4165                 0.4944                 0.7063
 Alpha2 Fr= 1--      0.0024                 0.0016                 0.0003
 Beta2  Fr= 1--      0.0144                 0.0143                 0.0105
 AlphaG Fr= 1--     -0.0027                 0.0011                 0.0007
 Gamma2 Fr= 1--      0.1157                 0.0474                 0.0467
 Delta2 Fr= 1--      0.0232                -0.0037                -0.0410
 Raman1 Fr= 1--       0.832                  0.694                  0.357
 ROA1   Fr= 1--      11.854                  4.429                  3.170
 CID1   Fr= 1--      14.240                  6.381                  8.878
 Raman2 Fr= 1--       0.173                  0.172                  0.126
 ROA2   Fr= 1--       2.592                  1.166                  1.449
 CID2   Fr= 1--      14.949                  6.796                 11.489
 Raman3 Fr= 1--       0.347                  0.343                  0.252
 ROA3   Fr= 1--      11.854                  4.429                  3.170
 CID3   Fr= 1--      34.187                 12.904                 12.569
 RC180  Fr= 1--      -0.167                 -0.011                  0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.02     0.02   0.04   0.01     0.01   0.00   0.02
     2   6    -0.01   0.00  -0.01     0.01   0.00  -0.03    -0.01   0.01   0.00
     3   6     0.00   0.01  -0.02     0.01  -0.02  -0.03    -0.01  -0.00  -0.01
     4   6     0.02  -0.00  -0.01     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     5   8     0.01  -0.00   0.00    -0.05  -0.00   0.02    -0.01  -0.01  -0.00
     6   6    -0.05   0.06  -0.01    -0.03   0.00  -0.02     0.02   0.02   0.00
     7   7     0.03  -0.00   0.02    -0.00  -0.03   0.02     0.00   0.00  -0.03
     8   8     0.04  -0.01   0.02     0.05   0.02   0.00     0.00  -0.01   0.01
     9   1    -0.00   0.01  -0.02     0.00  -0.01  -0.04    -0.01  -0.03  -0.01
    10   1    -0.02  -0.00   0.01     0.04  -0.01  -0.03    -0.01   0.01   0.00
    11   1     0.02  -0.01   0.03    -0.04   0.03   0.05    -0.01  -0.01   0.01
    12   1    -0.39   0.03  -0.15    -0.37  -0.02  -0.13    -0.20   0.04  -0.12
    13   1     0.08  -0.11   0.50     0.04  -0.10   0.45     0.03  -0.07   0.21
    14   1    -0.45   0.18  -0.03     0.25  -0.08  -0.02     0.31  -0.05  -0.03
    15   1     0.03  -0.30  -0.03    -0.12   0.29  -0.05    -0.04   0.30   0.03
    16   1     0.21   0.35   0.02    -0.25  -0.21   0.01    -0.17  -0.18   0.01
    17   1    -0.04   0.04  -0.02     0.12  -0.26   0.02    -0.07   0.45   0.00
    18   1     0.07  -0.09   0.04    -0.14   0.17  -0.22     0.21  -0.18   0.40
    19   1    -0.06  -0.12  -0.09     0.11   0.24   0.27    -0.11  -0.27  -0.32
                      7                      8                      9
                      A                      A                      A
 Frequencies --    277.7104               296.1279               345.7699
 Red. masses --      2.3911                 3.2290                 3.6382
 Frc consts  --      0.1087                 0.1668                 0.2563
 IR Inten    --      4.8778                 0.9278                 0.2552
 RamAct Fr= 1--      0.4292                 0.5835                 0.7666
  Dep-P Fr= 1--      0.2390                 0.3212                 0.4403
  Dep-U Fr= 1--      0.3858                 0.4862                 0.6114
 Alpha2 Fr= 1--      0.0052                 0.0056                 0.0049
 Beta2  Fr= 1--      0.0276                 0.0473                 0.0781
 AlphaG Fr= 1--     -0.0052                 0.0002                 0.0008
 Gamma2 Fr= 1--     -0.2191                 0.0969                 0.0104
 Delta2 Fr= 1--      0.0162                 0.0637                -0.0746
 Raman1 Fr= 1--       1.717                  2.334                  3.067
 ROA1   Fr= 1--     -20.517                 11.345                 -1.386
 CID1   Fr= 1--     -11.950                  4.861                 -0.452
 Raman2 Fr= 1--       0.331                  0.567                  0.937
 ROA2   Fr= 1--      -5.389                  1.817                  0.848
 CID2   Fr= 1--     -16.268                  3.201                  0.904
 Raman3 Fr= 1--       0.662                  1.135                  1.875
 ROA3   Fr= 1--     -20.517                 11.345                 -1.386
 CID3   Fr= 1--     -30.971                  9.997                 -0.739
 RC180  Fr= 1--      -0.228                 -0.028                  0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03   0.01    -0.17   0.16  -0.08    -0.18   0.06  -0.10
     2   6     0.02  -0.02  -0.08    -0.06  -0.03   0.04    -0.03  -0.03   0.12
     3   6     0.00  -0.04  -0.04    -0.01  -0.04   0.03     0.05  -0.03  -0.01
     4   6    -0.01  -0.03  -0.03    -0.01   0.01   0.03     0.10  -0.01  -0.10
     5   8    -0.09  -0.04   0.04     0.08   0.00  -0.03     0.02  -0.03  -0.01
     6   6    -0.09   0.16  -0.08    -0.08   0.03   0.05    -0.05  -0.05   0.14
     7   7     0.05  -0.10   0.18     0.28  -0.07  -0.05    -0.14  -0.03   0.06
     8   8     0.04   0.02  -0.03    -0.07  -0.06   0.04     0.24   0.10  -0.08
     9   1    -0.01   0.11  -0.06    -0.05  -0.10   0.04     0.23  -0.01  -0.01
    10   1     0.08  -0.06  -0.03     0.01  -0.05   0.06    -0.04  -0.03   0.14
    11   1    -0.09   0.04   0.08     0.09  -0.09  -0.07     0.03   0.03   0.05
    12   1     0.45  -0.29   0.38     0.24   0.09  -0.10    -0.05  -0.17   0.13
    13   1     0.02  -0.04  -0.23     0.36  -0.33   0.07    -0.20   0.18  -0.10
    14   1    -0.11   0.21  -0.21     0.00   0.02   0.01    -0.03  -0.07   0.18
    15   1    -0.13   0.24  -0.12    -0.11   0.14   0.03    -0.07  -0.04   0.10
    16   1    -0.13   0.21   0.09    -0.15  -0.02   0.10    -0.09  -0.09   0.13
    17   1     0.11   0.20   0.00    -0.30   0.14  -0.07    -0.49   0.18  -0.09
    18   1     0.06  -0.02   0.18    -0.29   0.22  -0.14    -0.18   0.06  -0.11
    19   1     0.02  -0.03  -0.06     0.01   0.30  -0.17    -0.03   0.07  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.8302               447.5626               579.5146
 Red. masses --      2.4333                 3.9923                 1.6063
 Frc consts  --      0.2269                 0.4712                 0.3178
 IR Inten    --      1.1885                 7.8298                62.4659
 RamAct Fr= 1--      0.6108                 1.3585                 1.0032
  Dep-P Fr= 1--      0.4060                 0.2370                 0.3448
  Dep-U Fr= 1--      0.5776                 0.3832                 0.5128
 Alpha2 Fr= 1--      0.0044                 0.0167                 0.0090
 Beta2  Fr= 1--      0.0588                 0.0868                 0.0857
 AlphaG Fr= 1--     -0.0082                 0.0031                -0.0088
 Gamma2 Fr= 1--      0.1506                 0.0269                -0.4479
 Delta2 Fr= 1--     -0.0130                -0.0743                -0.0635
 Raman1 Fr= 1--       2.443                  5.434                  4.013
 ROA1   Fr= 1--      14.039                  0.208                -45.032
 CID1   Fr= 1--       5.746                  0.038                -11.222
 Raman2 Fr= 1--       0.706                  1.041                  1.029
 ROA2   Fr= 1--       3.718                  1.240                -10.242
 CID2   Fr= 1--       5.269                  1.191                 -9.954
 Raman3 Fr= 1--       1.411                  2.082                  2.058
 ROA3   Fr= 1--      14.039                  0.208                -45.032
 CID3   Fr= 1--       9.948                  0.100                -21.883
 RC180  Fr= 1--       0.155                 -0.234                  0.026
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.02   0.16    -0.05   0.01   0.06    -0.05  -0.00   0.02
     2   6    -0.16  -0.03  -0.02    -0.04  -0.18  -0.07    -0.02  -0.06  -0.02
     3   6    -0.06   0.05  -0.08    -0.03  -0.12   0.03     0.06   0.03   0.07
     4   6    -0.02   0.02  -0.10     0.04   0.06   0.13     0.08  -0.08   0.04
     5   8    -0.01  -0.05   0.00     0.23   0.13  -0.06    -0.02  -0.05   0.04
     6   6     0.15  -0.00  -0.04     0.00   0.04  -0.11    -0.01   0.01  -0.05
     7   7     0.05   0.01   0.02    -0.14  -0.15  -0.00     0.02   0.09  -0.01
     8   8     0.08  -0.01  -0.01    -0.01   0.12   0.06     0.01  -0.03  -0.04
     9   1     0.03   0.09  -0.09    -0.18  -0.15   0.03     0.03   0.05   0.07
    10   1    -0.17  -0.02  -0.01    -0.02  -0.18  -0.06    -0.09  -0.03  -0.06
    11   1     0.09  -0.13   0.18     0.14  -0.05  -0.37    -0.45   0.58  -0.49
    12   1     0.08  -0.05   0.05    -0.23  -0.13  -0.05    -0.04   0.20  -0.06
    13   1     0.08  -0.08   0.05    -0.21   0.07  -0.05     0.00   0.14  -0.03
    14   1     0.22   0.02  -0.16     0.03   0.13  -0.38    -0.01   0.05  -0.18
    15   1     0.33  -0.06   0.28     0.02   0.19   0.01    -0.00   0.07  -0.01
    16   1     0.34   0.07  -0.28     0.02   0.13   0.03     0.01   0.06   0.02
    17   1     0.10   0.04   0.15     0.10   0.13   0.05    -0.02   0.05   0.02
    18   1    -0.25   0.04   0.26    -0.26   0.04   0.23    -0.17   0.02   0.08
    19   1    -0.13   0.08   0.31     0.04   0.11   0.08     0.01   0.07   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    595.4457               661.8544               713.3014
 Red. masses --      1.9263                 2.9959                 3.2490
 Frc consts  --      0.4024                 0.7732                 0.9740
 IR Inten    --     31.9309                23.4973                24.9446
 RamAct Fr= 1--      1.9750                 1.9492                12.4379
  Dep-P Fr= 1--      0.3884                 0.4197                 0.0321
  Dep-U Fr= 1--      0.5595                 0.5912                 0.0623
 Alpha2 Fr= 1--      0.0152                 0.0134                 0.2563
 Beta2  Fr= 1--      0.1842                 0.1921                 0.1291
 AlphaG Fr= 1--     -0.0229                -0.0257                 0.1062
 Gamma2 Fr= 1--     -0.2706                -0.2706                 0.0054
 Delta2 Fr= 1--      0.4305                 0.0225                 0.0118
 Raman1 Fr= 1--       7.900                  7.797                 49.751
 ROA1   Fr= 1--     -12.198                -25.261                  0.895
 CID1   Fr= 1--      -1.544                 -3.240                  0.018
 Raman2 Fr= 1--       2.210                  2.305                  1.549
 ROA2   Fr= 1--      -9.937                 -6.675                  0.035
 CID2   Fr= 1--      -4.497                 -2.896                  0.022
 Raman3 Fr= 1--       4.420                  4.610                  3.098
 ROA3   Fr= 1--     -12.198                -25.261                  0.895
 CID3   Fr= 1--      -2.760                 -5.480                  0.289
 RC180  Fr= 1--       0.119                  0.182                 -0.875
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01     0.01  -0.00  -0.00    -0.11   0.01   0.05
     2   6    -0.05   0.18  -0.01     0.01  -0.04  -0.01    -0.05   0.17  -0.02
     3   6    -0.09  -0.03  -0.01    -0.05   0.00   0.20     0.10  -0.05   0.10
     4   6    -0.01  -0.06   0.06    -0.04  -0.12   0.08     0.20  -0.11   0.11
     5   8     0.05  -0.06  -0.04    -0.06  -0.11  -0.15    -0.04   0.12   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.00  -0.06    -0.02   0.03  -0.11
     7   7     0.01  -0.06   0.00     0.03   0.11  -0.01     0.01  -0.10   0.01
     8   8     0.06   0.08   0.02     0.09   0.14  -0.00    -0.03  -0.05  -0.12
     9   1    -0.18  -0.05  -0.01    -0.11   0.01   0.20    -0.03  -0.13   0.10
    10   1     0.03   0.14   0.04    -0.03  -0.01  -0.09    -0.06   0.17  -0.03
    11   1    -0.26   0.15  -0.59     0.24  -0.66   0.16     0.26  -0.01   0.59
    12   1     0.14  -0.13   0.07     0.01   0.42  -0.09    -0.09   0.07  -0.08
    13   1     0.08  -0.28   0.03     0.07  -0.02  -0.06    -0.07   0.10  -0.15
    14   1     0.04  -0.09   0.25    -0.05   0.05  -0.18     0.02  -0.05   0.07
    15   1     0.04  -0.12   0.01    -0.05   0.08  -0.08     0.02  -0.08  -0.09
    16   1     0.01  -0.10  -0.23    -0.03   0.06   0.10    -0.00  -0.07  -0.32
    17   1     0.03  -0.12   0.01     0.06   0.00  -0.00    -0.08  -0.10   0.05
    18   1     0.23  -0.06  -0.08    -0.03   0.00   0.03     0.07  -0.05  -0.01
    19   1    -0.19  -0.14   0.11     0.03   0.02   0.03    -0.29  -0.12   0.15
                     16                     17                     18
                      A                      A                      A
 Frequencies --    801.6191               859.5473               869.5482
 Red. masses --      1.8428                 2.3774                 2.8724
 Frc consts  --      0.6977                 1.0349                 1.2796
 IR Inten    --    181.7253                50.3793                 3.5335
 RamAct Fr= 1--      0.2794                 8.0264                 3.4429
  Dep-P Fr= 1--      0.2728                 0.0757                 0.2275
  Dep-U Fr= 1--      0.4287                 0.1408                 0.3707
 Alpha2 Fr= 1--      0.0031                 0.1491                 0.0434
 Beta2  Fr= 1--      0.0200                 0.1884                 0.2127
 AlphaG Fr= 1--      0.0042                -0.0088                 0.0004
 Gamma2 Fr= 1--      0.2157                -0.2913                 0.3746
 Delta2 Fr= 1--     -0.0540                -0.4647                 0.7120
 Raman1 Fr= 1--       1.118                 32.106                 13.772
 ROA1   Fr= 1--      18.975                -42.834                 58.745
 CID1   Fr= 1--      16.980                 -1.334                  4.266
 Raman2 Fr= 1--       0.240                  2.261                  2.553
 ROA2   Fr= 1--       5.608                 -3.274                  3.294
 CID2   Fr= 1--      23.411                 -1.448                  1.290
 Raman3 Fr= 1--       0.479                  4.521                  5.105
 ROA3   Fr= 1--      18.975                -42.834                 58.745
 CID3   Fr= 1--      39.608                 -9.474                 11.506
 RC180  Fr= 1--      -0.143                 -0.718                 -0.259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.09  -0.00  -0.07    -0.07  -0.04   0.05
     2   6     0.00  -0.05  -0.02    -0.08  -0.04  -0.08     0.05   0.03   0.00
     3   6    -0.04  -0.01  -0.06    -0.09   0.08  -0.11     0.20   0.01  -0.20
     4   6     0.10  -0.09   0.10     0.08  -0.08   0.09    -0.02  -0.06   0.15
     5   8    -0.01   0.05  -0.01    -0.01   0.02  -0.02    -0.05  -0.07  -0.06
     6   6    -0.00  -0.00   0.05    -0.02  -0.00   0.18     0.00   0.03  -0.02
     7   7    -0.06   0.13  -0.05     0.06  -0.07   0.06     0.05   0.03   0.02
     8   8    -0.02   0.01  -0.05    -0.01   0.01  -0.04    -0.08   0.08   0.08
     9   1    -0.18  -0.00  -0.06    -0.33   0.15  -0.12     0.14   0.02  -0.20
    10   1    -0.02  -0.06   0.02    -0.11  -0.03  -0.05    -0.02   0.01   0.13
    11   1     0.08  -0.01   0.15     0.02   0.03   0.06    -0.02  -0.35  -0.19
    12   1     0.38  -0.46   0.30    -0.27   0.34  -0.20    -0.12  -0.29   0.02
    13   1     0.16  -0.45   0.38    -0.09   0.30  -0.30    -0.10   0.52   0.04
    14   1     0.01   0.01   0.02     0.06   0.00   0.10     0.03  -0.05   0.17
    15   1     0.02   0.01   0.10     0.07   0.01   0.38     0.01  -0.10  -0.06
    16   1     0.02   0.03   0.08     0.05   0.01   0.07    -0.02  -0.07  -0.17
    17   1     0.02   0.06  -0.01     0.27   0.09  -0.09    -0.23   0.05   0.06
    18   1    -0.09   0.02   0.03    -0.06   0.01   0.07    -0.23   0.02   0.04
    19   1     0.09   0.06  -0.03     0.13   0.07  -0.01     0.09   0.06  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.1728               957.8676               973.5137
 Red. masses --      1.1992                 2.1984                 1.4825
 Frc consts  --      0.6219                 1.1884                 0.8278
 IR Inten    --      0.7586                 9.7476                 0.0542
 RamAct Fr= 1--      0.7121                 5.1037                 2.0807
  Dep-P Fr= 1--      0.3967                 0.7407                 0.7268
  Dep-U Fr= 1--      0.5681                 0.8511                 0.8418
 Alpha2 Fr= 1--      0.0053                 0.0008                 0.0008
 Beta2  Fr= 1--      0.0674                 0.7239                 0.2919
 AlphaG Fr= 1--     -0.0001                 0.0007                -0.0017
 Gamma2 Fr= 1--      0.2719                -1.4209                 0.3572
 Delta2 Fr= 1--      0.2376                -0.3486                 0.1132
 Raman1 Fr= 1--       2.848                 20.415                  8.323
 ROA1   Fr= 1--      33.707               -147.560                 37.919
 CID1   Fr= 1--      11.834                 -7.228                  4.556
 Raman2 Fr= 1--       0.809                  8.687                  3.503
 ROA2   Fr= 1--       4.625                -31.313                  7.668
 CID2   Fr= 1--       5.716                 -3.604                  2.189
 Raman3 Fr= 1--       1.618                 17.374                  7.006
 ROA3   Fr= 1--      33.707               -147.560                 37.919
 CID3   Fr= 1--      20.831                 -8.493                  5.412
 RC180  Fr= 1--       0.136                  0.702                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.07   0.01  -0.12    -0.12   0.04  -0.02
     2   6     0.04  -0.00  -0.02    -0.15   0.03  -0.05     0.04   0.02  -0.09
     3   6    -0.03  -0.00   0.02     0.17  -0.07   0.10     0.04   0.00  -0.02
     4   6    -0.00   0.01  -0.02    -0.04   0.04  -0.02    -0.00   0.00   0.01
     5   8     0.00   0.00   0.00    -0.01  -0.03  -0.00    -0.01  -0.01  -0.00
     6   6     0.06   0.06  -0.00    -0.06   0.02   0.06     0.07  -0.05   0.09
     7   7    -0.00  -0.00   0.00    -0.02   0.01  -0.04     0.00  -0.00  -0.01
     8   8     0.01  -0.01  -0.01    -0.01   0.00   0.03    -0.01   0.01   0.01
     9   1    -0.07   0.01   0.02     0.30  -0.11   0.11     0.05  -0.00  -0.02
    10   1    -0.13  -0.05   0.32    -0.36   0.10  -0.07     0.12   0.05  -0.28
    11   1     0.00   0.03   0.02    -0.01  -0.08  -0.04    -0.01  -0.03  -0.02
    12   1    -0.00   0.06  -0.01     0.08  -0.25   0.08    -0.00  -0.09   0.01
    13   1     0.01  -0.04  -0.01    -0.01   0.03   0.15    -0.01   0.05   0.02
    14   1    -0.10  -0.06   0.46     0.07  -0.01   0.02    -0.14   0.08  -0.10
    15   1    -0.10  -0.15  -0.43     0.08  -0.01   0.33    -0.09   0.15  -0.14
    16   1    -0.14  -0.15   0.03     0.06   0.02  -0.18    -0.03   0.09   0.56
    17   1     0.32   0.17  -0.06     0.52   0.14  -0.15     0.23  -0.11  -0.03
    18   1    -0.34  -0.03   0.29    -0.07  -0.01   0.15     0.14  -0.09   0.08
    19   1     0.04   0.11   0.13    -0.01   0.07   0.15    -0.47  -0.17   0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1052.0243              1124.7188              1137.4624
 Red. masses --      1.7242                 2.3281                 2.8156
 Frc consts  --      1.1243                 1.7352                 2.1463
 IR Inten    --      8.3746                 6.7812               260.5224
 RamAct Fr= 1--      3.0288                 6.6916                 1.5822
  Dep-P Fr= 1--      0.4720                 0.5711                 0.4205
  Dep-U Fr= 1--      0.6413                 0.7270                 0.5920
 Alpha2 Fr= 1--      0.0169                 0.0226                 0.0109
 Beta2  Fr= 1--      0.3238                 0.8108                 0.1561
 AlphaG Fr= 1--      0.0085                -0.0106                -0.0181
 Gamma2 Fr= 1--      0.3003                 0.6361                 0.3329
 Delta2 Fr= 1--      0.0348                 0.4452                -0.2252
 Raman1 Fr= 1--      12.115                 26.766                  6.329
 ROA1   Fr= 1--      29.942                 75.313                 24.750
 CID1   Fr= 1--       2.471                  2.814                  3.911
 Raman2 Fr= 1--       3.885                  9.729                  1.873
 ROA2   Fr= 1--       6.928                 11.705                  9.791
 CID2   Fr= 1--       1.783                  1.203                  5.227
 Raman3 Fr= 1--       7.770                 19.459                  3.747
 ROA3   Fr= 1--      29.942                 75.313                 24.750
 CID3   Fr= 1--       3.853                  3.870                  6.606
 RC180  Fr= 1--       0.283                  0.454                  0.184
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.02     0.06   0.07  -0.08    -0.01  -0.06   0.02
     2   6     0.01   0.09   0.02    -0.12  -0.01   0.22     0.01   0.08  -0.05
     3   6     0.01   0.15   0.02    -0.05   0.02  -0.09    -0.00  -0.11  -0.02
     4   6     0.01  -0.00   0.02     0.01  -0.07   0.05    -0.14  -0.18  -0.04
     5   8    -0.01  -0.02  -0.01     0.00   0.04   0.01     0.03   0.18   0.13
     6   6     0.04  -0.06  -0.01     0.05  -0.07  -0.11     0.00  -0.02   0.03
     7   7    -0.02  -0.13  -0.04     0.03   0.02   0.02     0.01   0.06   0.03
     8   8    -0.01   0.01   0.01    -0.01   0.01  -0.01     0.05  -0.03  -0.06
     9   1     0.14   0.06   0.03     0.34  -0.21  -0.05     0.32   0.12  -0.05
    10   1    -0.45   0.30  -0.22    -0.20  -0.05   0.41     0.01   0.10  -0.15
    11   1    -0.01   0.00   0.00    -0.00  -0.08  -0.08    -0.01  -0.56  -0.45
    12   1     0.04  -0.12  -0.01    -0.05  -0.07   0.01     0.01   0.25  -0.02
    13   1     0.02  -0.29   0.00    -0.02   0.14  -0.04     0.04  -0.03  -0.07
    14   1    -0.10   0.06  -0.20    -0.15   0.05  -0.28    -0.03   0.02  -0.05
    15   1    -0.06   0.13  -0.11    -0.08   0.09  -0.29    -0.00   0.06   0.06
    16   1     0.01   0.10   0.33    -0.05   0.01   0.22     0.03   0.04   0.08
    17   1    -0.12   0.13   0.02     0.33  -0.01  -0.09    -0.08   0.09   0.01
    18   1    -0.27   0.05   0.04     0.25  -0.03   0.01    -0.22   0.02   0.04
    19   1     0.33   0.17  -0.14    -0.11  -0.03   0.12     0.16   0.08  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1168.6297              1199.7763              1239.8922
 Red. masses --      1.4293                 1.9225                 1.8982
 Frc consts  --      1.1500                 1.6305                 1.7194
 IR Inten    --      5.0577                 5.2905                21.6030
 RamAct Fr= 1--      3.1236                 1.5924                 2.5551
  Dep-P Fr= 1--      0.4742                 0.6423                 0.7267
  Dep-U Fr= 1--      0.6433                 0.7822                 0.8417
 Alpha2 Fr= 1--      0.0173                 0.0031                 0.0010
 Beta2  Fr= 1--      0.3349                 0.2076                 0.3584
 AlphaG Fr= 1--     -0.0664                 0.0001                -0.0036
 Gamma2 Fr= 1--     -0.5670                -0.5819                 0.2605
 Delta2 Fr= 1--      0.4936                -0.0555                 0.0811
 Raman1 Fr= 1--      12.494                  6.370                 10.220
 ROA1   Fr= 1--     -38.641                -57.634                 27.598
 CID1   Fr= 1--      -3.093                 -9.048                  2.700
 Raman2 Fr= 1--       4.019                  2.491                  4.301
 ROA2   Fr= 1--     -17.557                -13.520                  5.603
 CID2   Fr= 1--      -4.369                 -5.427                  1.303
 Raman3 Fr= 1--       8.038                  4.982                  8.603
 ROA3   Fr= 1--     -38.641                -57.634                 27.598
 CID3   Fr= 1--      -4.808                -11.567                  3.208
 RC180  Fr= 1--       0.287                  0.564                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.02    -0.08  -0.07  -0.08    -0.02   0.03  -0.02
     2   6     0.03  -0.09   0.01     0.17   0.09   0.09     0.06  -0.06   0.03
     3   6     0.04   0.10  -0.01    -0.04  -0.00  -0.03    -0.01   0.18   0.09
     4   6     0.01  -0.04   0.03     0.01   0.01  -0.00    -0.04  -0.04  -0.02
     5   8    -0.01   0.01   0.01     0.00  -0.01  -0.01    -0.02   0.05   0.05
     6   6    -0.03   0.04  -0.00    -0.11  -0.07  -0.02    -0.04   0.02  -0.01
     7   7    -0.06  -0.06  -0.02    -0.00   0.00   0.02     0.04  -0.06  -0.07
     8   8    -0.02   0.01   0.01    -0.01   0.01   0.01     0.04  -0.03  -0.05
     9   1     0.51   0.48  -0.05    -0.00  -0.08  -0.02    -0.37  -0.05   0.12
    10   1     0.12  -0.12   0.05     0.27   0.05   0.13     0.03  -0.06   0.05
    11   1    -0.01  -0.10  -0.07     0.01   0.09   0.07    -0.04  -0.35  -0.27
    12   1     0.06   0.26  -0.05    -0.00   0.08  -0.00    -0.06  -0.58   0.02
    13   1     0.06  -0.44  -0.06     0.02  -0.07  -0.03    -0.07   0.35   0.12
    14   1     0.08  -0.04   0.13     0.16  -0.01  -0.40     0.10  -0.04   0.03
    15   1     0.04  -0.09   0.06     0.05   0.09   0.37     0.03  -0.06   0.08
    16   1    -0.01  -0.05  -0.20     0.18   0.15  -0.19     0.02   0.01  -0.13
    17   1     0.09  -0.07  -0.02     0.29   0.14  -0.10     0.07  -0.06  -0.02
    18   1     0.15  -0.04   0.01    -0.29  -0.09   0.31     0.07  -0.03   0.05
    19   1    -0.16  -0.05   0.07    -0.05   0.10   0.23    -0.12  -0.05   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.8007              1319.8077              1359.7613
 Red. masses --      1.3076                 1.4133                 1.4408
 Frc consts  --      1.2996                 1.4505                 1.5696
 IR Inten    --      0.4988                10.9367                11.6669
 RamAct Fr= 1--      8.3431                 6.0968                 2.8848
  Dep-P Fr= 1--      0.4570                 0.5174                 0.7048
  Dep-U Fr= 1--      0.6274                 0.6820                 0.8268
 Alpha2 Fr= 1--      0.0497                 0.0277                 0.0023
 Beta2  Fr= 1--      0.8723                 0.6930                 0.3975
 AlphaG Fr= 1--     -0.0107                 0.0368                 0.0133
 Gamma2 Fr= 1--     -0.0912                 0.7406                 0.2565
 Delta2 Fr= 1--     -0.7640                -0.7759                 0.3569
 Raman1 Fr= 1--      33.373                 24.387                 11.539
 ROA1   Fr= 1--     -33.206                 46.272                 36.040
 CID1   Fr= 1--      -0.995                  1.897                  3.123
 Raman2 Fr= 1--      10.468                  8.316                  4.771
 ROA2   Fr= 1--       3.923                 23.983                  3.300
 CID2   Fr= 1--       0.375                  2.884                  0.692
 Raman3 Fr= 1--      20.936                 16.631                  9.541
 ROA3   Fr= 1--     -33.206                 46.272                 36.040
 CID3   Fr= 1--      -1.586                  2.782                  3.777
 RC180  Fr= 1--       0.255                  0.364                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.01  -0.02   0.01     0.01  -0.07  -0.01
     2   6     0.02  -0.03  -0.01    -0.06   0.05  -0.04    -0.12   0.04   0.02
     3   6    -0.10   0.04   0.01     0.01   0.00   0.05     0.00   0.04   0.02
     4   6    -0.03  -0.08   0.00    -0.08  -0.10  -0.02     0.07   0.08   0.02
     5   8     0.03   0.01  -0.02     0.04   0.01  -0.02    -0.04  -0.02   0.01
     6   6    -0.01   0.05   0.00     0.01  -0.04  -0.00     0.03   0.00  -0.01
     7   7     0.03   0.01  -0.00     0.02  -0.02  -0.05    -0.01  -0.01  -0.00
     8   8    -0.01   0.02   0.02    -0.00   0.03   0.02    -0.00  -0.02  -0.02
     9   1     0.57  -0.41   0.07     0.04   0.53  -0.01     0.07  -0.08   0.04
    10   1     0.13   0.06  -0.44     0.35  -0.20   0.38     0.81  -0.18  -0.20
    11   1     0.04   0.30   0.21     0.06   0.38   0.28    -0.04  -0.26  -0.19
    12   1    -0.05  -0.19   0.01    -0.01  -0.22  -0.01     0.00  -0.02   0.00
    13   1    -0.02   0.18   0.00    -0.03   0.20   0.09    -0.00  -0.03   0.00
    14   1     0.05  -0.03   0.18    -0.07   0.01  -0.09    -0.10   0.03   0.03
    15   1     0.04  -0.09   0.02    -0.02   0.10   0.02    -0.01   0.04  -0.06
    16   1    -0.05  -0.03  -0.07     0.02   0.03   0.11    -0.05  -0.04   0.06
    17   1     0.02   0.00  -0.01    -0.04   0.06   0.00     0.06   0.16  -0.03
    18   1    -0.06  -0.01   0.02    -0.07   0.02  -0.03    -0.12  -0.01  -0.01
    19   1     0.03   0.01  -0.02     0.04   0.00  -0.02     0.16   0.09  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1383.7294              1406.7049              1426.9729
 Red. masses --      1.4250                 1.2556                 1.3023
 Frc consts  --      1.6075                 1.4639                 1.5624
 IR Inten    --     10.3827                 7.6586                 2.5922
 RamAct Fr= 1--      1.2246                 0.1082                 0.3606
  Dep-P Fr= 1--      0.6951                 0.7102                 0.6079
  Dep-U Fr= 1--      0.8201                 0.8306                 0.7562
 Alpha2 Fr= 1--      0.0012                 0.0001                 0.0009
 Beta2  Fr= 1--      0.1674                 0.0150                 0.0454
 AlphaG Fr= 1--      0.0020                -0.0010                 0.0076
 Gamma2 Fr= 1--     -0.6405                 0.0474                -0.0898
 Delta2 Fr= 1--      0.1202                 0.0324                -0.0037
 Raman1 Fr= 1--       4.898                  0.433                  1.442
 ROA1   Fr= 1--     -57.641                  5.589                 -8.740
 CID1   Fr= 1--     -11.767                 12.908                 -6.059
 Raman2 Fr= 1--       2.009                  0.180                  0.545
 ROA2   Fr= 1--     -16.333                  0.879                 -2.125
 CID2   Fr= 1--      -8.131                  4.891                 -3.897
 Raman3 Fr= 1--       4.017                  0.360                  1.091
 ROA3   Fr= 1--     -57.641                  5.589                 -8.740
 CID3   Fr= 1--     -14.348                 15.541                 -8.012
 RC180  Fr= 1--       0.640                  0.661                  0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04    -0.10  -0.02   0.06    -0.07  -0.01   0.02
     2   6     0.02   0.03  -0.15     0.01   0.00  -0.04    -0.01  -0.01   0.03
     3   6    -0.05   0.04   0.02     0.01   0.02   0.01     0.06   0.02  -0.02
     4   6     0.05   0.04   0.02    -0.01  -0.01  -0.00    -0.04  -0.03  -0.02
     5   8    -0.02  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.02  -0.04  -0.01     0.00  -0.01   0.08    -0.01  -0.00  -0.11
     7   7     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.00   0.01
     8   8    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.01
     9   1     0.39  -0.39   0.08     0.02  -0.13   0.02    -0.22  -0.12  -0.01
    10   1    -0.05  -0.18   0.64    -0.00  -0.04   0.12     0.05  -0.00  -0.05
    11   1    -0.03  -0.14  -0.11     0.00   0.02   0.01     0.01   0.08   0.06
    12   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.01   0.10  -0.00
    13   1    -0.00  -0.01  -0.02     0.00  -0.02  -0.02     0.01  -0.09  -0.04
    14   1     0.04  -0.08   0.08     0.02   0.11  -0.30     0.02  -0.19   0.44
    15   1     0.05   0.09   0.22    -0.15  -0.02  -0.25     0.20   0.06   0.37
    16   1     0.06   0.14   0.20     0.08  -0.08  -0.27    -0.07   0.18   0.41
    17   1    -0.11  -0.02   0.04     0.46   0.09   0.01     0.29   0.05  -0.01
    18   1    -0.05   0.07  -0.10     0.37  -0.08  -0.29     0.26  -0.09  -0.12
    19   1    -0.05  -0.09  -0.08     0.29   0.20  -0.31     0.19   0.17  -0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1438.1467              1487.0332              1497.5999
 Red. masses --      1.6555                 1.0428                 1.0518
 Frc consts  --      2.0174                 1.3587                 1.3899
 IR Inten    --     22.4839                 0.7311                 1.9572
 RamAct Fr= 1--      1.2394                 7.3305                 0.6593
  Dep-P Fr= 1--      0.7008                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8241                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1702                 1.0471                 0.0942
 AlphaG Fr= 1--      0.0084                -0.0012                -0.0000
 Gamma2 Fr= 1--     -0.7888                 0.4681                -0.1629
 Delta2 Fr= 1--      0.6185                -0.1344                -0.0507
 Raman1 Fr= 1--       4.958                 29.322                  2.637
 ROA1   Fr= 1--     -55.933                 40.639                -17.259
 CID1   Fr= 1--     -11.282                  1.386                 -6.544
 Raman2 Fr= 1--       2.043                 12.565                  1.130
 ROA2   Fr= 1--     -23.880                 12.310                 -3.504
 CID2   Fr= 1--     -11.690                  0.980                 -3.100
 Raman3 Fr= 1--       4.085                 25.131                  2.261
 ROA3   Fr= 1--     -55.933                 40.639                -17.259
 CID3   Fr= 1--     -13.691                  1.617                 -7.635
 RC180  Fr= 1--       0.648                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.02     0.01  -0.04   0.01     0.02   0.00   0.02
     2   6     0.04   0.01   0.02     0.00  -0.00  -0.00    -0.02  -0.01   0.03
     3   6    -0.13  -0.11   0.03     0.00   0.00  -0.00     0.01   0.00  -0.01
     4   6     0.09   0.09   0.04    -0.01  -0.00   0.00    -0.00  -0.01  -0.00
     5   8    -0.03  -0.02   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.01   0.01  -0.04    -0.01   0.03  -0.00    -0.04  -0.01   0.00
     7   7     0.04   0.00  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.02  -0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.30   0.62  -0.04    -0.01  -0.01  -0.00    -0.05   0.02  -0.01
    10   1    -0.20   0.13  -0.13    -0.03  -0.00   0.04     0.04   0.01  -0.09
    11   1    -0.03  -0.16  -0.12     0.00   0.01   0.01     0.00   0.01   0.01
    12   1    -0.03  -0.21  -0.01     0.00   0.02  -0.00     0.03   0.05  -0.00
    13   1    -0.05   0.33   0.10    -0.00  -0.00  -0.00    -0.00  -0.00   0.02
    14   1     0.07  -0.07   0.12     0.26   0.01  -0.20     0.40  -0.18   0.15
    15   1     0.07  -0.03   0.12     0.11  -0.43  -0.00    -0.18   0.06  -0.30
    16   1    -0.03   0.07   0.15    -0.19  -0.06   0.21     0.35   0.40   0.03
    17   1     0.21   0.03   0.00    -0.10   0.55  -0.02     0.20   0.07   0.00
    18   1     0.12  -0.03  -0.10     0.07   0.07  -0.39    -0.28   0.18  -0.24
    19   1     0.12   0.07  -0.13    -0.12   0.01   0.34    -0.17  -0.28  -0.18
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.4797              1511.2743              1639.1403
 Red. masses --      1.0438                 1.0547                 1.1061
 Frc consts  --      1.3976                 1.4193                 1.7510
 IR Inten    --     13.5017                 5.3070                59.5376
 RamAct Fr= 1--      1.9853                 4.9553                 1.6455
  Dep-P Fr= 1--      0.7209                 0.7405                 0.7428
  Dep-U Fr= 1--      0.8378                 0.8509                 0.8524
 Alpha2 Fr= 1--      0.0010                 0.0008                 0.0002
 Beta2  Fr= 1--      0.2772                 0.7028                 0.2338
 AlphaG Fr= 1--     -0.0023                 0.0021                 0.0005
 Gamma2 Fr= 1--     -0.3041                 0.0922                -0.7567
 Delta2 Fr= 1--     -0.0401                 0.0562                -0.3848
 Raman1 Fr= 1--       7.941                 19.821                  6.582
 ROA1   Fr= 1--     -30.473                 10.647                -84.959
 CID1   Fr= 1--      -3.837                  0.537                -12.907
 Raman2 Fr= 1--       3.327                  8.433                  2.805
 ROA2   Fr= 1--      -6.977                  1.763                -15.083
 CID2   Fr= 1--      -2.097                  0.209                 -5.376
 Raman3 Fr= 1--       6.653                 16.866                  5.611
 ROA3   Fr= 1--     -30.473                 10.647                -84.959
 CID3   Fr= 1--      -4.580                  0.631                -15.142
 RC180  Fr= 1--       0.676                  0.702                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.02    -0.01   0.01  -0.03    -0.00   0.00  -0.00
     2   6     0.01  -0.03  -0.01    -0.03   0.01  -0.02     0.00  -0.00   0.00
     3   6    -0.01  -0.00   0.00     0.00  -0.01   0.00    -0.01   0.01  -0.02
     4   6     0.01   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.03   0.00    -0.03   0.01   0.02     0.00   0.00   0.00
     7   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.02
     9   1     0.03   0.01  -0.00     0.03  -0.00   0.00     0.01  -0.09  -0.01
    10   1    -0.07  -0.00  -0.03     0.04  -0.03   0.03     0.00  -0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.02   0.01
    12   1    -0.01  -0.02  -0.00    -0.02  -0.01  -0.01     0.55   0.45   0.10
    13   1    -0.01   0.03  -0.00    -0.00   0.01  -0.01    -0.11   0.38   0.55
    14   1    -0.17  -0.05   0.26     0.45  -0.12  -0.04    -0.01   0.01  -0.01
    15   1    -0.15   0.47  -0.07    -0.08  -0.24  -0.25     0.00  -0.01   0.00
    16   1     0.28   0.15  -0.24     0.14   0.25   0.17    -0.01  -0.02  -0.01
    17   1    -0.23   0.37  -0.01    -0.25  -0.21   0.00    -0.01  -0.01  -0.00
    18   1     0.25  -0.07  -0.14     0.27  -0.21   0.37     0.03  -0.02   0.02
    19   1     0.02   0.19   0.41     0.23   0.31   0.14     0.02   0.02   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1811.5255              3024.6683              3028.2226
 Red. masses --      8.6278                 1.0488                 1.0685
 Frc consts  --     16.6816                 5.6532                 5.7728
 IR Inten    --    261.2511                14.6575                22.7514
 RamAct Fr= 1--     16.2604               102.4790                54.2858
  Dep-P Fr= 1--      0.1561                 0.0601                 0.4001
  Dep-U Fr= 1--      0.2701                 0.1134                 0.5715
 Alpha2 Fr= 1--      0.2475                 1.9759                 0.4020
 Beta2  Fr= 1--      0.7320                 1.9377                 5.1708
 AlphaG Fr= 1--     -0.0423                 0.0585                -0.1334
 Gamma2 Fr= 1--     -0.1491                 5.2027                 7.8651
 Delta2 Fr= 1--      0.4185                 4.2997                 7.8857
 Raman1 Fr= 1--      65.041                409.916                217.143
 ROA1   Fr= 1--      -0.924                637.048               1007.388
 CID1   Fr= 1--      -0.014                  1.554                  4.639
 Raman2 Fr= 1--       8.784                 23.252                 62.049
 ROA2   Fr= 1--      -6.927                 90.467                125.676
 CID2   Fr= 1--      -0.789                  3.891                  2.025
 Raman3 Fr= 1--      17.568                 46.505                124.098
 ROA3   Fr= 1--      -0.924                637.048               1007.388
 CID3   Fr= 1--      -0.053                 13.699                  8.118
 RC180  Fr= 1--      -0.460                 -0.773                  0.143
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.02   0.01     0.02   0.00  -0.01
     2   6     0.01  -0.01   0.00     0.01   0.03   0.01     0.01   0.04   0.01
     3   6     0.05   0.01  -0.03     0.00  -0.00  -0.03     0.00  -0.01  -0.05
     4   6    -0.40   0.25   0.48     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.01
     7   7    -0.00   0.02   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8     0.23  -0.18  -0.30    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.18   0.04  -0.02    -0.01   0.04   0.34    -0.01   0.08   0.65
    10   1     0.01  -0.01  -0.00    -0.10  -0.33  -0.10    -0.14  -0.46  -0.14
    11   1     0.04   0.35   0.26     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.21  -0.13  -0.04     0.00   0.00  -0.01     0.00   0.00  -0.01
    13   1     0.04  -0.19  -0.19    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.01  -0.03  -0.01     0.06   0.22   0.07
    15   1    -0.02   0.04  -0.01     0.06   0.01  -0.02    -0.10  -0.03   0.04
    16   1     0.03   0.01  -0.04    -0.06   0.05  -0.02     0.08  -0.09   0.04
    17   1     0.00   0.01  -0.00    -0.03  -0.03  -0.45     0.02   0.01   0.28
    18   1    -0.01   0.01  -0.00     0.20   0.57   0.17    -0.09  -0.25  -0.07
    19   1    -0.02  -0.01   0.01     0.24  -0.26   0.12    -0.18   0.19  -0.09
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3034.6402              3036.6854              3083.0582
 Red. masses --      1.0833                 1.0376                 1.0995
 Frc consts  --      5.8776                 5.6374                 6.1577
 IR Inten    --     18.3501                18.2707                22.4982
 RamAct Fr= 1--    137.7468               192.6061                36.6776
  Dep-P Fr= 1--      0.1246                 0.0136                 0.3976
  Dep-U Fr= 1--      0.2216                 0.0268                 0.5689
 Alpha2 Fr= 1--      2.2696                 4.1464                 0.2741
 Beta2  Fr= 1--      5.0878                 0.8600                 3.4779
 AlphaG Fr= 1--     -0.1068                -0.1892                -0.0499
 Gamma2 Fr= 1--    -16.1789                 0.5147                 0.0043
 Delta2 Fr= 1--    -17.3928                 0.4051                 1.5410
 Raman1 Fr= 1--     550.987                770.424                146.710
 ROA1   Fr= 1--   -2109.746                 62.375                 49.727
 CID1   Fr= 1--      -3.829                  0.081                  0.339
 Raman2 Fr= 1--      61.053                 10.320                 41.734
 ROA2   Fr= 1--    -249.151                  9.112                -12.224
 CID2   Fr= 1--      -4.081                  0.883                 -0.293
 Raman3 Fr= 1--     122.107                 20.640                 83.469
 ROA3   Fr= 1--   -2109.746                 62.375                 49.727
 CID3   Fr= 1--     -17.278                  3.022                  0.596
 RC180  Fr= 1--      -0.557                 -0.946                  0.138
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.01  -0.00   0.01     0.00  -0.08  -0.04
     2   6    -0.02  -0.05  -0.02    -0.01  -0.02  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.01  -0.05     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.01  -0.05    -0.00   0.03  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01   0.07   0.65     0.00  -0.01  -0.07     0.00   0.00   0.04
    10   1     0.20   0.66   0.19     0.06   0.19   0.05     0.04   0.14   0.04
    11   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.05  -0.16  -0.05     0.16   0.54   0.17    -0.06  -0.19  -0.06
    15   1     0.02   0.01  -0.01    -0.45  -0.12   0.21    -0.06  -0.01   0.03
    16   1    -0.01   0.01  -0.01     0.37  -0.36   0.17     0.13  -0.12   0.06
    17   1    -0.01  -0.00  -0.12    -0.01  -0.01  -0.15     0.03   0.00   0.47
    18   1    -0.03  -0.09  -0.02     0.04   0.12   0.03     0.23   0.61   0.17
    19   1     0.06  -0.06   0.03     0.08  -0.08   0.04    -0.31   0.29  -0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2549              3096.8361              3103.1467
 Red. masses --      1.1014                 1.1008                 1.1018
 Frc consts  --      6.2131                 6.2202                 6.2509
 IR Inten    --     25.6173                42.6576                25.2564
 RamAct Fr= 1--     35.0198               101.6147                53.5764
  Dep-P Fr= 1--      0.5703                 0.6051                 0.7472
  Dep-U Fr= 1--      0.7264                 0.7539                 0.8553
 Alpha2 Fr= 1--      0.1187                 0.2719                 0.0026
 Beta2  Fr= 1--      4.2397                12.7687                 7.6374
 AlphaG Fr= 1--     -0.0302                -0.1752                -0.0273
 Gamma2 Fr= 1--     -9.6398                16.7343                -7.5606
 Delta2 Fr= 1--    -10.7247                13.3142                -1.7396
 Raman1 Fr= 1--     140.079                406.459                214.306
 ROA1   Fr= 1--   -1268.613               2032.544               -781.485
 CID1   Fr= 1--      -9.056                  5.001                 -3.647
 Raman2 Fr= 1--      50.876                153.224                 91.648
 ROA2   Fr= 1--    -145.558                295.109               -167.538
 CID2   Fr= 1--      -2.861                  1.926                 -1.828
 Raman3 Fr= 1--     101.752                306.448                183.296
 ROA3   Fr= 1--   -1268.613               2032.544               -781.485
 CID3   Fr= 1--     -12.468                  6.633                 -4.264
 RC180  Fr= 1--       0.453                  0.508                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05     0.04  -0.04   0.05    -0.00   0.00  -0.01
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.01  -0.07   0.00    -0.00  -0.05   0.00    -0.09  -0.01   0.01
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.03    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.04   0.13   0.04     0.03   0.11   0.03     0.01   0.04   0.01
    11   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.15   0.47   0.16     0.12   0.39   0.13     0.05   0.23   0.08
    15   1     0.07   0.00  -0.03     0.15   0.03  -0.07     0.73   0.19  -0.35
    16   1    -0.37   0.34  -0.17    -0.26   0.23  -0.12     0.32  -0.32   0.16
    17   1     0.02   0.03   0.50    -0.02  -0.03  -0.44     0.00   0.00   0.06
    18   1     0.05   0.15   0.03     0.04   0.08   0.04     0.01   0.02   0.00
    19   1     0.24  -0.25   0.10    -0.44   0.44  -0.20     0.05  -0.05   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.5648              3597.2549              3726.9170
 Red. masses --      1.0482                 1.0939                 1.0640
 Frc consts  --      7.6069                 8.3401                 8.7078
 IR Inten    --      5.3770                 8.9865                67.6812
 RamAct Fr= 1--     78.9905                25.2237               111.0878
  Dep-P Fr= 1--      0.0586                 0.6503                 0.2259
  Dep-U Fr= 1--      0.1108                 0.7881                 0.3686
 Alpha2 Fr= 1--      1.5285                 0.0452                 1.4072
 Beta2  Fr= 1--      1.4584                 3.3130                 6.8236
 AlphaG Fr= 1--     -0.5195                -0.0181                -0.0610
 Gamma2 Fr= 1--     -1.6054                -2.4916                -2.3213
 Delta2 Fr= 1--     -0.1091                 0.8379                 0.0149
 Raman1 Fr= 1--     315.962                100.895                444.351
 ROA1   Fr= 1--    -157.612               -212.382               -222.366
 CID1   Fr= 1--      -0.499                 -2.105                 -0.500
 Raman2 Fr= 1--      17.501                 39.756                 81.883
 ROA2   Fr= 1--     -37.658                -66.502                -55.830
 CID2   Fr= 1--      -2.152                 -1.673                 -0.682
 Raman3 Fr= 1--      35.001                 79.513                163.766
 ROA3   Fr= 1--    -157.612               -212.382               -222.366
 CID3   Fr= 1--      -4.503                 -2.671                 -1.358
 RC180  Fr= 1--      -0.778                  0.576                 -0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   7    -0.02  -0.03  -0.04    -0.07  -0.01   0.04    -0.00   0.00  -0.00
     8   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.00
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.88   0.27  -0.39
    12   1    -0.32   0.18   0.69     0.22  -0.14  -0.56    -0.00  -0.00   0.00
    13   1     0.59   0.18  -0.05     0.75   0.22  -0.04     0.00   0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   613.791301254.597031341.77734
           X            0.99999   0.00236   0.00262
           Y           -0.00222   0.99879  -0.04914
           Z           -0.00274   0.04914   0.99879
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14111     0.06904     0.06455
 Rotational constants (GHZ):           2.94032     1.43850     1.34504
 Zero-point vibrational energy     431031.1 (Joules/Mol)
                                  103.01890 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     80.52   121.30   254.70   311.00   318.98
          (Kelvin)            354.66   399.56   426.06   497.49   572.39
                              643.94   833.79   856.71   952.26  1026.28
                             1153.35  1236.70  1251.09  1349.82  1378.16
                             1400.67  1513.63  1618.22  1636.55  1681.40
                             1726.21  1783.93  1868.68  1898.91  1956.39
                             1990.88  2023.93  2053.10  2069.17  2139.51
                             2154.71  2168.93  2174.39  2358.36  2606.38
                             4351.82  4356.94  4366.17  4369.11  4435.83
                             4451.94  4455.66  4464.74  5049.48  5175.65
                             5362.20
 
 Zero-point correction=                           0.164171 (Hartree/Particle)
 Thermal correction to Energy=                    0.173670
 Thermal correction to Enthalpy=                  0.174614
 Thermal correction to Gibbs Free Energy=         0.129974
 Sum of electronic and zero-point Energies=           -402.405553
 Sum of electronic and thermal Energies=              -402.396054
 Sum of electronic and thermal Enthalpies=            -402.395110
 Sum of electronic and thermal Free Energies=         -402.439750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.979             34.465             93.953
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.426
 Vibrational            107.202             28.503             25.339
 Vibration     1          0.596              1.975              4.595
 Vibration     2          0.601              1.960              3.788
 Vibration     3          0.628              1.871              2.360
 Vibration     4          0.645              1.816              1.991
 Vibration     5          0.648              1.808              1.945
 Vibration     6          0.661              1.769              1.755
 Vibration     7          0.679              1.715              1.548
 Vibration     8          0.690              1.681              1.439
 Vibration     9          0.724              1.584              1.185
 Vibration    10          0.764              1.475              0.971
 Vibration    11          0.807              1.366              0.803
 Vibration    12          0.936              1.076              0.486
 Vibration    13          0.953              1.041              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.164498D-59        -59.783840       -137.657378
 Total V=0       0.536470D+16         15.729545         36.218616
 Vib (Bot)       0.907904D-73        -73.041960       -168.185329
 Vib (Bot)    1  0.369148D+01          0.567200          1.306027
 Vib (Bot)    2  0.244115D+01          0.387595          0.892471
 Vib (Bot)    3  0.113575D+01          0.055284          0.127297
 Vib (Bot)    4  0.916549D+00         -0.037844         -0.087140
 Vib (Bot)    5  0.891556D+00         -0.049851         -0.114787
 Vib (Bot)    6  0.793079D+00         -0.100684         -0.231833
 Vib (Bot)    7  0.693143D+00         -0.159177         -0.366519
 Vib (Bot)    8  0.643603D+00         -0.191382         -0.440673
 Vib (Bot)    9  0.535048D+00         -0.271607         -0.625398
 Vib (Bot)   10  0.448731D+00         -0.348014         -0.801332
 Vib (Bot)   11  0.383914D+00         -0.415766         -0.957335
 Vib (Bot)   12  0.263075D+00         -0.579920         -1.335315
 Vib (Bot)   13  0.251943D+00         -0.598697         -1.378552
 Vib (V=0)       0.296091D+03          2.471425          5.690665
 Vib (V=0)    1  0.422519D+01          0.625846          1.441064
 Vib (V=0)    2  0.299183D+01          0.475937          1.095886
 Vib (V=0)    3  0.174094D+01          0.240784          0.554427
 Vib (V=0)    4  0.154406D+01          0.188664          0.434416
 Vib (V=0)    5  0.152219D+01          0.182469          0.420150
 Vib (V=0)    6  0.143754D+01          0.157619          0.362930
 Vib (V=0)    7  0.135466D+01          0.131831          0.303552
 Vib (V=0)    8  0.131500D+01          0.118926          0.273837
 Vib (V=0)    9  0.123231D+01          0.090720          0.208890
 Vib (V=0)   10  0.117183D+01          0.068866          0.158569
 Vib (V=0)   11  0.113039D+01          0.053228          0.122562
 Vib (V=0)   12  0.106499D+01          0.027344          0.062961
 Vib (V=0)   13  0.105989D+01          0.025260          0.058164
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.363872D+06          5.560948         12.804557
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1     111111111111 11111  1                                   
     7    5  5        10000000                                         8     655444443332 22111  0 99988 8  7 6 55   4 33222221      
     2    9  1        09983322                                         1     310983208629 40632  5 75376 0  1 6 98   4 94974217   85 
     7    7  0        37437585                                         2     917878774009 00975  2 48800 2  3 2 50   8 86686267   46 
 
     X    X  X        XXXXXXXX                                         X     XXXXXXXXXXXX XXXXX  X XXXXX X  X X XX   X XXXXXXXX   XX 
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     X                                                                 X     X               X         X X       X                   
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010902    0.000003247    0.000002748
      2        6          -0.000001761    0.000003346   -0.000018613
      3        6           0.000025816   -0.000035831   -0.000001968
      4        6          -0.000006568    0.000030933    0.000028732
      5        8           0.000003535   -0.000024682   -0.000013830
      6        6           0.000004683    0.000009912    0.000000725
      7        7          -0.000012633    0.000005944    0.000007436
      8        8           0.000011734   -0.000001518   -0.000012042
      9        1          -0.000010085    0.000001010   -0.000007752
     10        1           0.000001913    0.000001058   -0.000003017
     11        1          -0.000000502    0.000003243   -0.000002535
     12        1           0.000001190    0.000007078    0.000007434
     13        1           0.000002658   -0.000001507    0.000002639
     14        1           0.000001806   -0.000001639    0.000004452
     15        1          -0.000002569   -0.000001573    0.000001601
     16        1          -0.000001941   -0.000002012    0.000005113
     17        1          -0.000000577    0.000000462   -0.000001362
     18        1          -0.000001047    0.000001892   -0.000000938
     19        1          -0.000004750    0.000000640    0.000001175
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035831 RMS     0.000010402
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.859180D+02  0.104710D+00 -0.258708D+01
      2   0.104710D+00  0.753602D+02  0.218819D+01
      3  -0.258708D+01  0.218819D+01  0.736878D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.216691D+01  0.795535D+00 -0.727293D+00
      2   0.573768D+01 -0.665603D+01  0.293697D+02
      3   0.661587D+01 -0.247442D+02  0.767968D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.697601D+02 -0.221533D+02  0.134636D+01
      2  -0.383946D+02  0.220259D+02 -0.819092D+01
      3  -0.313655D+02  0.127419D+00  0.684456D+01
      4  -0.248369D+02  0.446814D+02 -0.183983D+02
      5   0.101631D+02 -0.207386D+02  0.587425D+02
      6  -0.520415D+01  0.294277D+01 -0.773713D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.327640D+00  0.220976D+01 -0.326912D+01  0.360249D+01 -0.426266D+01
      2   0.220976D+01 -0.392735D+01  0.138840D+00 -0.426266D+01 -0.247702D+01
      3  -0.326912D+01  0.138840D+00  0.971047D+00 -0.138392D-01 -0.191026D+01
                 6             7             8             9            10 
      1  -0.138392D-01 -0.436769D+01  0.527139D+00 -0.680274D-01  0.182835D+01
      2  -0.191026D+01  0.527139D+00 -0.216972D+01  0.329564D+00 -0.256030D+01
      3   0.406691D+00 -0.680274D-01  0.329564D+00  0.673173D+01  0.379832D+01
                11            12            13            14            15 
      1  -0.256030D+01  0.379832D+01 -0.591806D+01  0.412120D+01  0.220461D+00
      2   0.379232D+01  0.276814D+00  0.412120D+01  0.378345D+01  0.274279D+01
      3   0.276814D+00 -0.347462D+00  0.220461D+00  0.274279D+01  0.205107D+00
                16            17            18            19            20 
      1   0.625594D+01 -0.391101D+00  0.852846D-01 -0.440913D+01  0.406148D+01
      2  -0.391101D+00  0.299153D+01  0.239893D+00  0.406148D+01 -0.164781D+01
      3   0.852846D-01  0.239893D+00 -0.467694D+01 -0.115104D+01  0.429355D+00
                21            22            23            24            25 
      1  -0.115104D+01  0.668259D+01 -0.148763D+01 -0.183761D+00 -0.321610D+01
      2   0.429355D+00 -0.148763D+01 -0.516826D-01 -0.442857D+00  0.529951D+00
      3  -0.312333D+00 -0.183761D+00 -0.442857D+00  0.180099D+01 -0.785736D+00
                26            27            28            29            30 
      1   0.529951D+00 -0.785736D+00  0.184815D+01 -0.253620D+01 -0.101890D+01
      2  -0.183957D+01  0.198844D+01 -0.253620D+01  0.812609D+00  0.164562D+01
      3   0.198844D+01  0.608871D+01 -0.101890D+01  0.164562D+01  0.765838D+00
                31            32            33            34            35 
      1  -0.335222D+01 -0.165703D+00  0.184505D+01 -0.446425D+01  0.151190D+01
      2  -0.165703D+00 -0.315732D+00  0.484635D+00  0.151190D+01 -0.359172D+00
      3   0.184505D+01  0.484635D+00 -0.112755D+01  0.175114D+01 -0.104840D+01
                36            37            38            39            40 
      1   0.175114D+01  0.457017D+01  0.165664D+01 -0.170516D+01  0.104492D+00
      2  -0.104840D+01  0.165664D+01  0.163476D+01 -0.730523D+00  0.131117D+00
      3  -0.313869D+01 -0.170516D+01 -0.730523D+00  0.222877D+00 -0.959517D+00
                41            42            43            44            45 
      1   0.131117D+00 -0.959517D+00 -0.350895D+01 -0.174778D+01 -0.101364D+01
      2  -0.322156D+01 -0.163916D+01 -0.174778D+01 -0.221915D+01 -0.146508D+01
      3  -0.163916D+01 -0.836943D+00 -0.101364D+01 -0.146508D+01 -0.274396D+01
                46            47            48            49            50 
      1   0.125661D+01  0.297264D+01 -0.413200D+01  0.301751D+01 -0.320380D+01
      2   0.297264D+01 -0.299290D+01  0.132135D+00 -0.320380D+01 -0.238007D+01
      3  -0.413200D+01  0.132135D+00  0.658075D+00  0.477636D-01 -0.309394D+01
                51            52            53            54            55 
      1   0.477636D-01 -0.356720D+01 -0.124948D-01  0.335626D+00 -0.347884D+01
      2  -0.309394D+01 -0.124948D-01 -0.261590D+01 -0.103612D+00 -0.703800D+00
      3   0.244884D+00  0.335626D+00 -0.103612D+00  0.330030D+01  0.314613D-01
                56            57            58            59            60 
      1  -0.703800D+00  0.314613D-01 -0.192329D+01 -0.582308D+00  0.142398D+00
      2  -0.662020D+00 -0.341327D-01 -0.582308D+00  0.422415D+01 -0.147287D+01
      3  -0.341327D-01  0.123722D+01  0.142398D+00 -0.147287D+01 -0.126182D+01
                61            62            63            64            65 
      1  -0.218112D+00 -0.535426D+00  0.763147D+00 -0.649284D+01  0.229479D+01
      2  -0.535426D+00 -0.102160D+01 -0.506062D+00  0.229479D+01 -0.202675D+01
      3   0.763147D+00 -0.506062D+00 -0.354609D+01  0.291312D+01 -0.134203D+01
                66            67            68            69            70 
      1   0.291312D+01  0.412007D+01 -0.198779D+01 -0.114068D+01  0.619460D+01
      2  -0.134203D+01 -0.198779D+01  0.391621D+01  0.187794D+01 -0.856168D+00
      3  -0.206968D+01 -0.114068D+01  0.187794D+01  0.176568D+01 -0.297732D+01
                71            72            73            74            75 
      1  -0.856168D+00 -0.297732D+01  0.609459D+00 -0.740443D+00 -0.106636D+01
      2   0.255212D+01  0.214379D+01 -0.740443D+00  0.382099D+00  0.230274D-01
      3   0.214379D+01  0.628272D+01 -0.106636D+01  0.230274D-01  0.182246D+00
                76            77            78            79            80 
      1  -0.120488D+01  0.222220D+00  0.675174D-01 -0.137999D+01 -0.963425D-01
      2   0.222220D+00 -0.232121D+00 -0.124195D+01 -0.963425D-01 -0.162472D+01
      3   0.675174D-01 -0.124195D+01 -0.717425D+00  0.185171D+00 -0.754515D+00
                81            82            83            84            85 
      1   0.185171D+00 -0.127067D+01 -0.973958D+00 -0.971804D+00 -0.114637D+01
      2  -0.754515D+00 -0.973958D+00 -0.142145D+01 -0.130753D+00 -0.121901D+01
      3  -0.862011D+01 -0.971804D+00 -0.130753D+00 -0.409198D+00 -0.843465D-01
                86            87            88            89            90 
      1  -0.121901D+01 -0.843465D-01 -0.129648D+01 -0.112330D+00 -0.206937D+00
      2  -0.773186D+01 -0.155783D+01 -0.112330D+00 -0.169780D+01 -0.156240D+01
      3  -0.155783D+01 -0.166784D+01 -0.206937D+00 -0.156240D+01 -0.570501D+00
                91            92            93            94            95 
      1  -0.729153D+01 -0.350445D+01  0.240646D+00 -0.211167D+01 -0.177199D+01
      2  -0.350445D+01 -0.280424D+01 -0.157443D-01 -0.177199D+01 -0.219399D+01
      3   0.240646D+00 -0.157443D-01 -0.108532D+01  0.172371D+00 -0.231608D-01
                96            97            98            99           100 
      1   0.172371D+00  0.246711D+01  0.138338D+01 -0.960113D+00 -0.110278D+01
      2  -0.231608D-01  0.138338D+01  0.108283D+01 -0.581238D+00  0.185426D+00
      3  -0.605335D+00 -0.960113D+00 -0.581238D+00  0.313876D+00  0.557789D+00
               101           102           103           104           105 
      1   0.185426D+00  0.557789D+00  0.471224D+00 -0.336529D+00 -0.167131D+00
      2  -0.129501D+01 -0.343818D+00 -0.336529D+00  0.146771D+01  0.913849D+00
      3  -0.343818D+00 -0.161727D+01 -0.167131D+00  0.913849D+00  0.170040D+01
               106           107           108           109           110 
      1   0.152497D+01 -0.887063D-01 -0.955900D+00  0.559472D+01  0.226668D+01
      2  -0.887063D-01  0.221345D+01  0.186671D+01  0.226668D+01  0.265609D+01
      3  -0.955900D+00  0.186671D+01  0.385336D+01 -0.412691D+00  0.107740D+00
               111           112           113           114           115 
      1  -0.412691D+00  0.225856D+01  0.117401D+01  0.271146D+00 -0.753681D+00
      2   0.107740D+00  0.117401D+01  0.190868D+01 -0.881403D-01  0.251783D+00
      3   0.682009D+00  0.271146D+00 -0.881403D-01  0.700668D+00  0.350227D+00
               116           117           118           119           120 
      1   0.251783D+00  0.350227D+00  0.926608D+00  0.685816D+00  0.107495D+01
      2  -0.407775D+00  0.556272D+00  0.685816D+00  0.130719D+01  0.510326D+00
      3   0.556272D+00 -0.288014D+00  0.107495D+01  0.510326D+00  0.856102D+00
               121           122           123           124           125 
      1   0.134835D+01  0.123622D+01  0.874863D+00  0.841232D+00  0.393858D+00
      2   0.123622D+01  0.487001D+01  0.192340D+01  0.393858D+00  0.158138D+01
      3   0.874863D+00  0.192340D+01  0.296775D+01  0.490866D+00  0.140680D+01
               126           127           128           129           130 
      1   0.490866D+00 -0.490189D+01 -0.115835D+01  0.227384D+01 -0.118576D+01
      2   0.140680D+01 -0.115835D+01 -0.105173D+01  0.872362D+00 -0.540270D+00
      3   0.162729D+01  0.227384D+01  0.872362D+00 -0.325326D+01  0.506981D+00
               131           132           133           134           135 
      1  -0.540270D+00  0.506981D+00  0.198403D+01  0.499027D+00 -0.182966D+01
      2  -0.685105D+00  0.112961D+01  0.499027D+00  0.934381D+00 -0.691588D+00
      3   0.112961D+01 -0.981344D+00 -0.182966D+01 -0.691588D+00  0.258738D+01
               136           137           138           139           140 
      1   0.383602D+01 -0.243599D+01  0.240186D+01 -0.272677D+01  0.241119D+01
      2  -0.243599D+01  0.245626D+01 -0.134630D+01  0.241119D+01 -0.316827D+01
      3   0.240186D+01 -0.134630D+01  0.231082D+01 -0.136340D+01  0.217518D+01
               141           142           143           144           145 
      1  -0.136340D+01  0.144850D+01 -0.901554D+00  0.152443D+01  0.198523D-01
      2   0.217518D+01 -0.901554D+00  0.146623D+01 -0.146724D+01 -0.193094D+00
      3  -0.232216D+01  0.152443D+01 -0.146724D+01  0.189385D+01 -0.680355D+00
               146           147           148           149           150 
      1  -0.193094D+00 -0.680355D+00 -0.493775D+00  0.681351D+00  0.645429D-01
      2   0.207092D+00  0.398667D-03  0.681351D+00  0.196017D-02 -0.876592D+00
      3   0.398667D-03 -0.727416D-01  0.645429D-01 -0.876592D+00 -0.382813D+00
               151           152           153           154           155 
      1  -0.193771D+01  0.129400D+00  0.183642D+01  0.213073D+01  0.145564D+01
      2   0.129400D+00 -0.114032D+01 -0.296563D+00  0.145564D+01  0.203167D+01
      3   0.183642D+01 -0.296563D+00 -0.931466D+01  0.424928D+00  0.894060D-01
               156           157           158           159           160 
      1   0.424928D+00  0.313041D+01  0.234538D+01 -0.152719D+00  0.145592D+01
      2   0.894060D-01  0.234538D+01  0.527609D+01  0.538846D+00  0.320221D+00
      3   0.422660D+00 -0.152719D+00  0.538846D+00  0.127147D+01  0.499757D+00
               161           162           163           164           165 
      1   0.320221D+00  0.499757D+00  0.599937D+01 -0.298229D+01  0.690517D+00
      2   0.118064D+01  0.755041D+00 -0.298229D+01  0.254917D+01 -0.282734D+00
      3   0.755041D+00  0.286392D-01  0.690517D+00 -0.282734D+00  0.858376D+00
               166           167           168           169           170 
      1  -0.467290D+01  0.323500D+01 -0.147695D+00  0.253788D+01 -0.804756D+00
      2   0.323500D+01 -0.299085D+01  0.560501D+00 -0.804756D+00  0.109317D+01
      3  -0.147695D+00  0.560501D+00 -0.116041D+01  0.975275D+00 -0.809817D+00
               171 
      1   0.975275D+00
      2  -0.809817D+00
      3   0.191111D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.319382D+01  0.333483D+01  0.459392D+00  0.428366D+01  0.122719D+01
      2  -0.806051D+01  0.211403D+01  0.100605D+01  0.316880D+01 -0.875967D+01
      3  -0.624267D+01  0.839058D+01  0.117384D+01  0.153002D+02  0.990090D+01
                 6             7             8             9            10 
      1  -0.481429D+00  0.607077D+00  0.328917D+01  0.118511D+01  0.342405D+01
      2   0.818798D+00 -0.808270D+01  0.120794D+01  0.197679D+02  0.713889D+01
      3   0.398503D+01 -0.106281D+01  0.596732D+01 -0.999025D+00  0.542381D+00
                11            12            13            14            15 
      1  -0.954894D+00  0.126583D+00 -0.745616D+00  0.384237D+01 -0.492934D+01
      2  -0.143537D+01  0.429083D+01 -0.395113D+01  0.414492D+01 -0.822611D-01
      3  -0.377376D+01 -0.170309D+01  0.191624D+01 -0.109460D+02 -0.295909D+01
                16            17            18            19            20 
      1  -0.576400D+00  0.178045D+01 -0.260331D+01 -0.254912D+01 -0.252126D+00
      2  -0.248125D+01  0.898040D+00 -0.448505D+01 -0.217052D+01  0.201602D+01
      3  -0.898078D+00 -0.228912D+01 -0.766520D+00  0.754542D+01 -0.598881D+01
                21            22            23            24            25 
      1  -0.154110D+01  0.206461D+01 -0.180711D+00  0.222381D+01 -0.271702D+01
      2   0.213432D+01  0.565642D+01 -0.167958D+01  0.213261D+01 -0.716401D+01
      3   0.755878D+00  0.126268D+01  0.735320D+00 -0.863739D+00 -0.193189D+01
                26            27            28            29            30 
      1   0.481482D+01 -0.218890D+01  0.130044D+01  0.359153D+01  0.187804D+01
      2   0.103271D+01 -0.171353D+01 -0.510549D+01 -0.146169D+01 -0.498519D+01
      3   0.104888D+01  0.358942D+00 -0.925333D+01  0.277459D+01 -0.159337D+01
                31            32            33            34            35 
      1   0.246687D+00 -0.825765D+01 -0.638769D+00  0.715681D+00  0.190651D+01
      2   0.276986D+01  0.176117D+01 -0.157353D-01 -0.938107D+01  0.391593D+00
      3   0.356923D+01  0.398165D+01 -0.196691D+01 -0.555434D+01 -0.666490D+01
                36            37            38            39            40 
      1   0.700233D+01 -0.287791D+01 -0.737813D+00 -0.513226D+00 -0.761213D-01
      2   0.909042D+01  0.562569D+01  0.267934D+01  0.931545D+00 -0.246813D+01
      3  -0.208059D+01 -0.618597D+00 -0.867534D+00  0.758492D+00  0.568105D+01
                41            42            43            44            45 
      1   0.251245D+01 -0.436612D+01  0.259080D+01  0.353090D+01 -0.316789D+01
      2   0.239005D+01  0.220268D+01 -0.491389D+01  0.122869D+01  0.581919D+01
      3  -0.754997D+01 -0.226765D+01  0.246747D+01 -0.240773D+01 -0.270773D+01
                46            47            48            49            50 
      1   0.264629D+01 -0.535906D+01  0.421329D+00 -0.571654D+01 -0.707474D+01
      2  -0.963052D+01 -0.572461D+01  0.123967D+02 -0.413959D+01  0.151052D+01
      3  -0.489902D+01  0.106880D+00  0.197786D+01  0.431369D+01  0.556105D+01
                51            52            53            54            55 
      1  -0.923252D+01 -0.143737D+00 -0.339752D+01  0.291201D+01  0.128642D+01
      2  -0.208289D+00  0.559833D+01  0.195717D+00  0.244524D+01 -0.204448D+01
      3   0.380641D+01  0.192646D+01  0.326305D+01  0.150633D+00 -0.130578D+02
                56            57            58            59            60 
      1   0.226955D+01 -0.260625D+01  0.300400D+00 -0.223386D+01 -0.335878D+01
      2   0.133052D+00  0.250635D+01 -0.856192D+00 -0.184251D+00 -0.123619D+01
      3  -0.690640D+01 -0.564149D+00  0.491138D+01 -0.607294D+00  0.666422D+00
                61            62            63            64            65 
      1  -0.201334D+01  0.680216D+01  0.991578D+01 -0.630891D+00 -0.312593D+01
      2  -0.187742D+01 -0.152971D+00  0.997049D+00 -0.167369D+01  0.232839D+01
      3  -0.252166D+01 -0.157708D+01  0.339839D+01  0.227728D+01 -0.853564D+01
                66            67            68            69            70 
      1   0.123099D+01  0.646240D+00  0.277352D+01 -0.319992D+01 -0.172233D+00
      2   0.946489D+01  0.909177D+00 -0.486535D+01 -0.349434D+01  0.106083D+01
      3  -0.724006D+00  0.869582D+00  0.624883D+01  0.379226D+01  0.380671D+01
                71            72            73            74            75 
      1   0.509140D+01 -0.255491D+01  0.455429D+00 -0.459252D+00  0.338224D+00
      2  -0.354847D+01 -0.138967D+02  0.706811D+00 -0.598006D+00 -0.108671D+00
      3   0.766112D+01  0.355053D+01 -0.185347D+00 -0.451751D-01 -0.476971D+00
                76            77            78            79            80 
      1  -0.590179D+00  0.741418D+00  0.119377D-01  0.367719D+00  0.356708D+01
      2  -0.104132D+01  0.149135D+00 -0.254034D+00 -0.430675D+01 -0.118267D-01
      3   0.150861D+01 -0.152125D+00 -0.211803D+00  0.469820D+00 -0.240042D+00
                81            82            83            84            85 
      1   0.160330D+01 -0.118930D+01  0.837599D-01 -0.608498D+00 -0.234272D+00
      2   0.522680D+00 -0.163019D+01 -0.251846D+00  0.689560D-01 -0.522208D+00
      3  -0.523357D-01  0.345293D+01  0.149558D+01  0.108004D+01  0.555808D+01
                86            87            88            89            90 
      1   0.285122D+00 -0.386470D+01 -0.123624D+00  0.220497D+00 -0.368273D+00
      2  -0.153722D+01 -0.138066D+01 -0.195479D+01 -0.158774D+01 -0.480427D+00
      3   0.865075D+01  0.189708D+01  0.193770D+01  0.173940D+01  0.178568D+01
                91            92            93            94            95 
      1   0.321700D+01  0.193838D+01 -0.174908D+01  0.182963D+01  0.170115D+01
      2  -0.530635D+01 -0.275413D+01  0.355724D+01 -0.231928D+01 -0.161101D+01
      3   0.169477D+01 -0.341551D+01 -0.601303D+00  0.142587D+00 -0.191559D+01
                96            97            98            99           100 
      1  -0.894280D+00 -0.171164D+01 -0.679739D+00  0.119177D+01 -0.178686D+01
      2   0.152374D+01  0.276858D+01  0.165604D+01 -0.222017D+01  0.541783D+00
      3   0.427035D-01  0.392947D-01  0.164736D+01 -0.301765D+00 -0.244379D+01
               101           102           103           104           105 
      1   0.686422D-01  0.412524D+01 -0.241009D-02 -0.196888D+01 -0.460911D+01
      2   0.558004D+00  0.819503D-01  0.408193D+00  0.143824D+00  0.494343D-01
      3  -0.800543D+00  0.146603D+01  0.573662D+00 -0.840992D+00 -0.299772D+00
               106           107           108           109           110 
      1   0.277035D+01 -0.308936D+01 -0.115203D+02 -0.566051D+00 -0.153876D+01
      2  -0.218773D+01  0.180163D-01 -0.105398D+01  0.234062D+01  0.622325D+00
      3   0.475165D+01 -0.304853D+00 -0.311121D+01  0.159443D+02  0.183037D+01
               111           112           113           114           115 
      1  -0.244948D+01 -0.121144D+01 -0.584870D+00 -0.135952D+01 -0.747685D+00
      2   0.173269D+01  0.656192D+00  0.396223D+00  0.988048D+00 -0.907663D+00
      3  -0.554377D+00  0.473956D+01  0.180755D+01  0.774117D+00 -0.150475D+01
               116           117           118           119           120 
      1   0.227868D+00 -0.563632D+00  0.193991D+01  0.283846D+01  0.108643D+01
      2   0.485970D+00  0.116915D+00  0.219797D+00 -0.578501D+00  0.557702D+00
      3   0.578301D+00  0.303980D+00 -0.694110D+00 -0.277782D+01 -0.100726D+01
               121           122           123           124           125 
      1   0.236718D+01  0.128033D+02  0.265346D+01  0.133018D+01  0.489784D+01
      2  -0.242105D+01  0.282556D+00  0.320948D+01 -0.211517D+01  0.947169D+00
      3   0.132912D+00 -0.794688D+01 -0.228695D+01 -0.587797D+00 -0.183864D+01
               126           127           128           129           130 
      1   0.314449D+01 -0.214790D+00 -0.244160D+01 -0.124499D+01 -0.929536D+00
      2   0.106491D+01  0.150967D+02  0.298609D+01 -0.571884D+01  0.272036D+01
      3  -0.219099D+01  0.526921D+01  0.179961D+00 -0.191646D+01  0.233747D+01
               131           132           133           134           135 
      1  -0.790324D-01  0.261945D+00 -0.390097D+00  0.244480D+01  0.532232D+00
      2   0.219244D+01 -0.168034D+01 -0.799578D+01 -0.182281D+01  0.535317D+01
      3   0.665040D+00 -0.143208D+01 -0.186475D+01 -0.531358D+00  0.191670D+01
               136           137           138           139           140 
      1  -0.256114D+01  0.446113D+01  0.419492D+00  0.336563D+01 -0.450598D+01
      2  -0.405485D+01  0.244198D+01  0.120034D+01  0.389970D+01 -0.129723D+01
      3  -0.289084D+00 -0.314689D+01  0.270035D+00  0.350793D+00  0.320870D+01
               141           142           143           144           145 
      1   0.350051D+00 -0.618734D+00  0.271308D+01 -0.690151D+00 -0.176245D+00
      2  -0.154669D+01 -0.255525D+01  0.310520D-01  0.312850D+00 -0.238233D+01
      3  -0.198783D+01 -0.478855D+00 -0.183453D+01  0.801121D+00  0.745521D+00
               146           147           148           149           150 
      1  -0.102800D+00 -0.575821D-01 -0.497010D+00 -0.330656D+00 -0.236470D+00
      2  -0.113351D+00  0.361876D+00 -0.297795D+00 -0.122334D+01 -0.892031D+00
      3  -0.118131D+01  0.273284D+00 -0.752149D+00 -0.593314D+00  0.194443D+01
               151           152           153           154           155 
      1   0.423196D+00  0.372396D+01 -0.273189D+01 -0.107959D+01 -0.173358D+01
      2  -0.614485D+00 -0.626526D+00 -0.229744D+02  0.270367D+01  0.157683D+01
      3   0.503959D+00  0.318490D+01  0.288919D+00 -0.448346D+01 -0.683952D+01
               156           157           158           159           160 
      1  -0.773973D+00 -0.177751D+01 -0.391473D+01 -0.243008D+01 -0.328248D+00
      2   0.238099D+01  0.156911D+01  0.400956D+01  0.448479D+01  0.957669D+00
      3  -0.401428D+00 -0.411879D+01 -0.179405D+02 -0.208811D+01 -0.386267D+00
               161           162           163           164           165 
      1   0.278252D+00 -0.989975D+00  0.255618D+01 -0.188048D+01  0.145846D+01
      2   0.223422D+01  0.774315D+00  0.639152D+01 -0.344388D+01  0.498721D+01
      3  -0.397792D+01 -0.207661D+01  0.464331D+01 -0.818123D+01  0.692397D+00
               166           167           168           169           170 
      1  -0.202991D+01  0.214993D+01 -0.274711D+01  0.789846D+00 -0.439987D+00
      2  -0.374112D+01  0.417726D+01 -0.461902D+01  0.319163D+01 -0.262922D+01
      3  -0.533590D+01  0.778525D+01 -0.183800D+01  0.888137D+00 -0.342414D+01
               171 
      1   0.986766D+00
      2   0.185317D+01
      3   0.173188D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.858497D+00  0.118928D+02 -0.168920D+02  0.133534D+02 -0.257087D+02
      2  -0.659284D+01 -0.419778D+01  0.794259D+01 -0.448464D+01  0.768637D+01
      3   0.573434D+01 -0.769503D+01  0.894938D+01 -0.886881D+01  0.180223D+02
      4   0.150276D+02 -0.229475D+02  0.272385D+01 -0.302436D+02 -0.995751D+01
      5  -0.181530D+02 -0.599409D+00  0.618373D+01 -0.127933D+01 -0.757497D+01
      6   0.582023D+00  0.268164D+01 -0.786487D+00  0.222129D+01  0.377299D+01
                 6             7             8             9            10 
      1  -0.258438D+00 -0.208627D+02  0.265599D+01  0.125699D+02 -0.919216D+01
      2   0.124565D+01  0.663348D+01  0.200676D+00  0.794857D+01  0.410414D+00
      3  -0.987210D+00  0.142293D+02 -0.285667D+01 -0.205185D+02  0.878174D+01
      4  -0.956072D+01  0.518661D+01 -0.121751D+02  0.229592D+01 -0.534351D+01
      5   0.126784D+01  0.272790D+01  0.148839D+01  0.287256D+02  0.141758D+02
      6   0.151913D+01  0.200362D+00  0.173985D+01 -0.659246D+01 -0.435697D+01
                11            12            13            14            15 
      1  -0.174817D+01  0.123562D+02 -0.235047D+01  0.178736D+02  0.371702D+01
      2  -0.857721D+00 -0.844834D+01  0.166383D+00 -0.216609D+02 -0.542446D+01
      3   0.260589D+01 -0.390787D+01  0.218409D+01  0.378728D+01  0.170744D+01
      4   0.825741D+01 -0.232333D+01  0.157465D+02  0.284973D+01  0.410535D+01
      5   0.402515D+00 -0.217170D+01  0.606706D+00  0.421520D+01  0.223282D+00
      6  -0.292490D-01  0.395724D+00  0.164477D+00 -0.852113D+01  0.269969D+01
                16            17            18            19            20 
      1   0.156780D+02  0.117352D+01  0.225718D+01 -0.351025D+01 -0.143797D+01
      2  -0.769296D+01 -0.395197D+01 -0.139167D+01  0.719836D+01 -0.152970D+01
      3  -0.798502D+01  0.277845D+01 -0.865502D+00 -0.368811D+01  0.296767D+01
      4  -0.434287D+01  0.505668D+01  0.964191D+00  0.232691D+00 -0.124460D+01
      5  -0.126054D+01  0.130716D+01 -0.113573D+02 -0.455356D+01 -0.757916D+00
      6  -0.411421D+00 -0.185893D+01  0.373319D+01  0.128875D+01 -0.150991D+00
                21            22            23            24            25 
      1  -0.202118D+01  0.279908D+01 -0.217542D+00  0.118069D+01 -0.733468D+01
      2   0.347722D+01 -0.404762D+01 -0.395494D+00  0.319624D+01  0.370069D+01
      3  -0.145605D+01  0.124854D+01  0.613036D+00 -0.437694D+01  0.363399D+01
      4   0.609121D+00 -0.104284D+02  0.335024D+01 -0.156268D+01  0.296518D+01
      5   0.197308D+01  0.408260D+00  0.892699D+00  0.356159D+01  0.198950D+01
      6  -0.105350D+00 -0.232351D+01  0.336661D+01 -0.611709D+01 -0.939653D+00
                26            27            28            29            30 
      1   0.565635D+01  0.823032D+01 -0.820729D+01  0.841844D+01  0.228936D+00
      2  -0.222527D+01  0.157865D+02  0.355330D+01 -0.616405D+01 -0.373048D+01
      3  -0.343108D+01 -0.240168D+02  0.465399D+01 -0.225439D+01  0.350155D+01
      4  -0.121386D+00 -0.145253D+01  0.725239D+01 -0.941523D+01 -0.783817D+01
      5  -0.491402D+00  0.160429D+00  0.701643D+01 -0.742055D+01 -0.123229D+02
      6   0.418770D+01 -0.107066D+01 -0.488246D+01  0.110468D+01 -0.215032D+01
                31            32            33            34            35 
      1   0.132878D+02  0.345818D+01 -0.376918D+01  0.153034D+02 -0.217417D+01
      2  -0.764583D+01 -0.613597D+01  0.832303D+01 -0.859405D+01 -0.359684D+01
      3  -0.564194D+01  0.267779D+01 -0.455385D+01 -0.670939D+01  0.577101D+01
      4  -0.516923D+01 -0.235005D+01 -0.477390D+00 -0.100264D+02  0.761540D+01
      5  -0.157459D+02  0.192477D+00 -0.296285D+01 -0.115691D+02  0.134012D+01
      6  -0.285957D+01 -0.674090D+01 -0.218870D+01 -0.913044D+00 -0.216532D+01
                36            37            38            39            40 
      1  -0.681837D+01 -0.163983D+02 -0.771079D+01  0.721036D+01 -0.634367D+01
      2   0.570591D+01  0.318530D+01  0.304769D+01 -0.439871D+01  0.272662D+01
      3   0.111247D+01  0.132130D+02  0.466310D+01 -0.281165D+01  0.361705D+01
      4   0.380378D+01 -0.139935D+02 -0.324850D+01  0.606950D+01  0.557480D+01
      5   0.150271D+02  0.754599D+01  0.362194D+01  0.752370D+01  0.780601D+01
      6  -0.547977D+01  0.521786D+01  0.238104D+01  0.140560D+01  0.541829D+01
                41            42            43            44            45 
      1  -0.151629D+02 -0.119410D+01  0.124351D+02  0.130245D+01 -0.428457D+01
      2   0.205853D+02  0.213562D+00 -0.491668D+01  0.242303D+01 -0.401619D+01
      3  -0.542238D+01  0.980538D+00 -0.751847D+01 -0.372548D+01  0.830076D+01
      4   0.143641D+02  0.730893D+01  0.135639D+02  0.109615D+02  0.496065D+01
      5   0.748171D+01  0.753687D+01  0.117856D+02  0.783102D+01  0.144457D+02
      6   0.859751D+01  0.941678D+01  0.301576D+01  0.981962D+01  0.882874D+01
                46            47            48            49            50 
      1   0.115553D+02  0.626861D+01 -0.105678D+02  0.524611D+01 -0.405680D+01
      2  -0.843970D+00  0.609898D-01  0.258701D+01  0.250929D+00  0.957213D+01
      3  -0.107114D+02 -0.632960D+01  0.798076D+01 -0.549704D+01 -0.551533D+01
      4   0.568645D+01 -0.133447D+02  0.827978D+01 -0.148993D+02 -0.212705D+01
      5  -0.498849D+01  0.976455D+01 -0.113050D+02  0.791528D+01 -0.177557D+02
      6   0.150616D+02 -0.106386D+02 -0.298902D+00 -0.120859D+02 -0.509564D+01
                51            52            53            54            55 
      1   0.954621D+00 -0.983646D+01 -0.363177D+00 -0.749225D+01  0.145078D+01
      2   0.312243D+01  0.242005D+01  0.229870D+01 -0.598706D+01 -0.334921D+01
      3  -0.407705D+01  0.741641D+01 -0.193553D+01  0.134793D+02  0.189843D+01
      4  -0.111846D+02  0.665565D+01 -0.817103D+01 -0.599259D-01 -0.178313D+02
      5   0.584007D+00 -0.113899D+02 -0.671995D+00  0.996516D+01  0.554819D+01
      6  -0.133902D+02 -0.202416D+00 -0.979745D+01 -0.840047D+00 -0.160563D+01
                56            57            58            59            60 
      1  -0.410018D+00  0.135808D+01 -0.251922D+01 -0.203746D+02  0.357393D+01
      2  -0.388576D+01 -0.127520D+01  0.480484D+00  0.307312D+02 -0.565733D+01
      3   0.429578D+01 -0.828812D-01  0.203873D+01 -0.103566D+02  0.208341D+01
      4  -0.165639D+01 -0.223192D+01  0.307732D+01 -0.428751D+01  0.905824D+00
      5  -0.131324D+01  0.388983D+01 -0.135395D+00  0.271353D-01 -0.273882D+01
      6   0.182369D+00  0.358024D+01  0.118273D+01 -0.678909D+01  0.649138D+01
                61            62            63            64            65 
      1   0.820416D+00  0.612269D+01 -0.725489D+00  0.344817D+02 -0.857487D+01
      2  -0.283334D+01 -0.423676D+01 -0.596676D+01 -0.185995D+02  0.306635D+01
      3   0.201292D+01 -0.188593D+01  0.669225D+01 -0.158822D+02  0.550851D+01
      4  -0.279800D+01  0.345089D+00  0.290332D+01 -0.140068D+02  0.174210D+02
      5   0.334597D+01  0.504986D-02  0.145474D+01 -0.170851D+02  0.745430D+01
      6   0.249597D+01  0.136078D+01 -0.169068D+02  0.229808D+01 -0.294096D+01
                66            67            68            69            70 
      1  -0.885286D+01 -0.132616D+02  0.103763D+01  0.101014D+01 -0.155160D+02
      2   0.942028D+01  0.542174D+01  0.513569D+01 -0.218759D+01  0.104019D+02
      3  -0.567423D+00  0.783983D+01 -0.617332D+01  0.117744D+01  0.511406D+01
      4   0.754533D+01  0.158284D+02 -0.165042D+02 -0.908987D+01  0.542333D+01
      5   0.193867D+02  0.750772D+01 -0.930372D+01 -0.679420D+01  0.217915D+02
      6  -0.184441D+01 -0.398373D+01  0.355921D+01  0.767194D+01 -0.310336D+01
                71            72            73            74            75 
      1  -0.405433D+00  0.197190D+01  0.101459D+01  0.288165D+00 -0.613779D-01
      2   0.348430D+00 -0.146132D+02 -0.483687D+01  0.243350D+00  0.123139D+00
      3   0.570024D-01  0.126413D+02  0.382229D+01 -0.531515D+00 -0.617615D-01
      4  -0.132747D+02 -0.105487D+02 -0.397856D+00  0.163462D+01 -0.373231D+00
      5  -0.885415D+01 -0.294744D+02 -0.373540D-01  0.357330D+00  0.606650D+01
      6   0.769871D+01  0.411692D+01 -0.297907D+00  0.451465D+00 -0.357582D+00
                76            77            78            79            80 
      1   0.715502D+00 -0.338933D+01 -0.103182D+01  0.113695D+01  0.186464D+00
      2   0.208978D+00 -0.104651D+01 -0.275995D+01  0.168215D+00 -0.406644D+01
      3  -0.924480D+00  0.443584D+01  0.379177D+01 -0.130516D+01  0.387998D+01
      4   0.233441D+01 -0.241215D+00  0.349736D+00  0.107826D+00 -0.266777D-03
      5   0.382083D+00 -0.170774D+00 -0.255791D+00  0.536518D+01  0.265073D-01
      6   0.620863D+00  0.572027D+00  0.689244D+01  0.790513D+00  0.479327D+01
                81            82            83            84            85 
      1  -0.190517D+02 -0.729644D+00 -0.395538D+01 -0.245771D+01 -0.531730D+01
      2  -0.187745D+02  0.395839D+01  0.515781D+01  0.208153D+01  0.559071D+01
      3   0.378262D+02 -0.322874D+01 -0.120244D+01  0.376182D+00 -0.273415D+00
      4   0.958269D+00  0.897381D+00  0.358405D+01  0.947100D+00  0.287672D+01
      5   0.440465D+00 -0.156141D+01  0.794487D+00  0.995176D+00  0.126053D+01
      6  -0.151323D+01  0.176488D+01  0.153567D+01  0.845736D+00  0.117193D+01
                86            87            88            89            90 
      1  -0.191093D+02 -0.268899D+01 -0.368931D+01 -0.382822D+01 -0.490424D+01
      2   0.302997D+02  0.540922D+01  0.235259D+01  0.429879D+01  0.318612D+01
      3  -0.111904D+02 -0.272023D+01  0.133672D+01 -0.470575D+00  0.171811D+01
      4  -0.934448D+01 -0.198529D+01  0.610515D+00 -0.218255D+01 -0.160271D+01
      5  -0.217470D+01 -0.328076D+01  0.208032D+01 -0.215406D+01 -0.119474D+00
      6   0.814468D+01  0.680580D+01  0.135305D+01  0.835084D+01  0.421297D+01
                91            92            93            94            95 
      1   0.356569D+02  0.137486D+02 -0.225177D+01  0.605716D+01  0.466629D+01
      2  -0.123858D+02 -0.227696D+01  0.587565D-02  0.808031D+00  0.239320D+01
      3  -0.232711D+02 -0.114716D+02  0.224589D+01 -0.686519D+01 -0.705949D+01
      4   0.266230D+02  0.176225D+02 -0.704915D+00  0.124534D+02  0.118232D+02
      5   0.265601D+01  0.161547D+01  0.498257D+01  0.556640D+00  0.881827D+00
      6  -0.102042D+01  0.213258D+00  0.228259D+01  0.331012D+00  0.362716D+00
                96            97            98            99           100 
      1  -0.612272D+00 -0.108410D+02 -0.501044D+01  0.327683D+01  0.190152D-01
      2  -0.280029D+00  0.327758D+01  0.474676D+00 -0.129761D+01  0.362397D+00
      3   0.892302D+00  0.756340D+01  0.453576D+01 -0.197923D+01 -0.381412D+00
      4  -0.409314D+00 -0.962626D+01 -0.663263D+01  0.413551D+01 -0.166869D+01
      5   0.212326D+01  0.511137D+01  0.275206D+01 -0.179259D+01 -0.781484D+00
      6   0.184739D+01  0.323811D+01  0.236190D+01 -0.141977D+01  0.267531D+01
               101           102           103           104           105 
      1   0.310247D+01  0.242050D+00  0.109499D+01 -0.388460D+01 -0.261968D+01
      2  -0.464846D+01 -0.131234D+01 -0.149582D+01  0.619736D+01  0.368289D+01
      3   0.154600D+01  0.107029D+01  0.400828D+00 -0.231276D+01 -0.106321D+01
      4   0.257399D+01  0.201555D+01  0.266832D+01 -0.156063D+01 -0.721810D+00
      5   0.454975D+00  0.780095D+00  0.484885D+00 -0.564604D+00  0.163078D+00
      6  -0.251072D+00 -0.586375D+01 -0.788200D+00  0.382146D+01  0.845954D+01
               106           107           108           109           110 
      1   0.828710D+00 -0.694264D+01 -0.808781D+01  0.545399D+01 -0.267736D+01
      2  -0.256847D+00  0.860195D+01  0.562588D+01  0.411376D+01  0.952881D+01
      3  -0.571863D+00 -0.165931D+01  0.246193D+01 -0.956775D+01 -0.685145D+01
      4   0.414158D+01 -0.788556D+00 -0.373207D+01  0.208031D+02  0.136776D+02
      5   0.127250D+01 -0.708658D+00 -0.317418D+00 -0.398535D+01 -0.940486D+00
      6  -0.465846D+01  0.103218D+02  0.161237D+02 -0.220299D+01 -0.767986D+00
               111           112           113           114           115 
      1  -0.111366D+01  0.580388D+00 -0.150483D+01  0.402317D+00 -0.156966D+01
      2   0.104134D+01  0.402438D+01  0.657397D+01 -0.583496D+00  0.209007D+01
      3   0.723248D-01 -0.460477D+01 -0.506914D+01  0.181179D+00 -0.520415D+00
      4  -0.113432D+01  0.113533D+02  0.811579D+01  0.101221D+01 -0.112227D+01
      5   0.251338D+01 -0.341378D+00 -0.471391D+00  0.140970D+01  0.318804D+01
      6   0.306621D+01  0.566752D+00 -0.656258D+00  0.282087D+01  0.155200D+01
               116           117           118           119           120 
      1   0.570306D+00 -0.713946D+00  0.228913D+01  0.209113D+01  0.166546D+01
      2   0.236438D+00  0.723964D+00 -0.308462D+01 -0.234846D+01 -0.309046D+01
      3  -0.806745D+00 -0.100184D-01  0.795490D+00  0.257326D+00  0.142501D+01
      4   0.647406D+00  0.185063D+01  0.353126D+01  0.645258D+01  0.142689D+01
      5   0.954029D+00 -0.939725D+00  0.573084D+01  0.392465D+01  0.740485D+01
      6   0.339376D+01 -0.384365D+00  0.203353D+01  0.503770D+01  0.203073D+01
               121           122           123           124           125 
      1   0.362969D+01 -0.287544D+01 -0.488254D+01  0.800943D+00 -0.274716D+01
      2  -0.400250D+01 -0.384047D+00 -0.656346D+01 -0.209763D+01 -0.345224D+01
      3   0.372811D+00  0.325948D+01  0.114460D+02  0.129669D+01  0.619940D+01
      4   0.639445D+01  0.132837D+02  0.653116D+01  0.749537D+00  0.445187D+01
      5   0.728933D+01  0.102557D+02  0.105131D+02  0.573052D+01  0.544040D+01
      6   0.557598D+01  0.180209D+02  0.996204D+01  0.227592D+01  0.919115D+01
               126           127           128           129           130 
      1  -0.373610D+01 -0.876678D+01 -0.526783D+01  0.126146D+02 -0.381813D+01
      2  -0.405755D+01  0.122046D+00  0.223659D+01  0.272920D+01  0.204751D+01
      3   0.779365D+01  0.864473D+01  0.303124D+01 -0.153438D+02  0.177062D+01
      4   0.401188D+01  0.559894D+01  0.320496D+01 -0.337097D+01  0.406668D+01
      5   0.589448D+01 -0.124812D+02 -0.359503D+01  0.561583D+01 -0.358421D+01
      6   0.659168D+01 -0.690062D+01 -0.573192D+01  0.702586D+01 -0.322295D+01
               131           132           133           134           135 
      1  -0.409375D+01  0.383704D+01  0.878862D+01  0.347291D+01 -0.108838D+02
      2   0.184317D+01 -0.935724D+00  0.153965D+01 -0.535293D+00 -0.404721D+01
      3   0.225058D+01 -0.290132D+01 -0.103283D+02 -0.293761D+01  0.149310D+02
      4   0.163203D+01  0.441706D+00 -0.254175D+01  0.139770D-01  0.209956D+01
      5   0.843267D-01  0.719754D+00  0.797754D+01  0.146717D+01 -0.475725D+01
      6  -0.384644D+01  0.675573D+01  0.431059D+01  0.599010D+01 -0.589232D+01
               136           137           138           139           140 
      1   0.113578D+02 -0.389533D+01  0.183083D+01 -0.494692D+01 -0.200789D+01
      2  -0.731560D+01  0.192106D+00 -0.567102D+01  0.626275D+00  0.528884D+01
      3  -0.404220D+01  0.370322D+01  0.384019D+01  0.432064D+01 -0.328094D+01
      4  -0.151613D+02  0.139635D+02 -0.826178D+01  0.144806D+02 -0.152918D+02
      5   0.189990D+02 -0.115851D+02  0.161529D+02 -0.126080D+02  0.127112D+02
      6  -0.109806D+02  0.113119D+02 -0.868343D+01  0.105106D+02 -0.145017D+02
               141           142           143           144           145 
      1   0.325076D+01  0.151447D+01  0.218965D+01 -0.186446D+01  0.372572D+00
      2   0.124180D+01 -0.417487D+01  0.103265D+01 -0.424626D+01 -0.231266D+01
      3  -0.449256D+01  0.266040D+01 -0.322230D+01  0.611071D+01  0.194009D+01
      4   0.901791D+01 -0.537538D+01  0.607198D+01 -0.710983D+01 -0.127567D+01
      5  -0.111595D+02  0.118818D+02 -0.768557D+01  0.112130D+02 -0.303916D+01
      6   0.128172D+02 -0.631379D+01  0.963932D+01 -0.930663D+01  0.773386D+00
               146           147           148           149           150 
      1  -0.142371D+01 -0.457026D+01 -0.188134D+01  0.604688D+00 -0.117350D+01
      2   0.541320D+00  0.237742D+01  0.612870D+00 -0.107881D+01  0.530827D+00
      3   0.882387D+00  0.219284D+01  0.126847D+01  0.474122D+00  0.642672D+00
      4   0.268149D+01  0.349894D+00  0.505140D+01 -0.756025D-01 -0.381137D+01
      5   0.174026D+00  0.585514D+01  0.722737D+00 -0.355029D+01 -0.139454D+01
      6   0.108980D+00  0.436352D+00 -0.118705D+01  0.130407D+01  0.625030D+01
               151           152           153           154           155 
      1  -0.788709D+01 -0.100380D+01 -0.125498D+02  0.152628D+02  0.884393D+01
      2   0.825172D+01  0.224266D+00 -0.195198D+02 -0.508306D+01 -0.283402D+01
      3  -0.364631D+00  0.779530D+00  0.320696D+02 -0.101798D+02 -0.600992D+01
      4   0.114647D+01 -0.561568D+01 -0.227145D+01  0.944525D+01  0.152076D+02
      5   0.150806D+02 -0.166061D+01 -0.440576D+02  0.126874D+01  0.263489D+00
      6  -0.182715D+01  0.656665D+01  0.778933D+01 -0.107946D+01 -0.225696D+01
               156           157           158           159           160 
      1   0.281328D+01  0.181872D+02  0.109138D+02  0.221430D+00  0.836456D+01
      2  -0.785384D+00 -0.776505D+01  0.273747D+01  0.142753D+01 -0.360837D+01
      3  -0.202790D+01 -0.104221D+02 -0.136513D+02 -0.164896D+01 -0.475618D+01
      4   0.104535D+01  0.185578D+02  0.290704D+02  0.298686D+01  0.255257D+01
      5   0.319626D+01 -0.192798D+01  0.287296D+01  0.785746D+01  0.360353D+01
      6   0.508343D+00 -0.169319D+01 -0.459321D+01  0.190574D+01  0.110621D+01
               161           162           163           164           165 
      1   0.167539D+01  0.459608D+00  0.415886D+02 -0.174131D+02  0.501929D+01
      2   0.338044D+00 -0.166778D+01 -0.157785D+02  0.459808D+01 -0.134894D+01
      3  -0.201344D+01  0.120817D+01 -0.258101D+02  0.128150D+02 -0.367035D+01
      4   0.624758D+01  0.426857D+01 -0.253147D+02  0.209358D+02 -0.258554D+01
      5   0.474967D+01  0.657635D+00  0.113809D+01 -0.427771D+00  0.696759D+01
      6   0.170264D+01  0.117324D+01  0.163168D+01 -0.224097D+01 -0.148716D+01
               166           167           168           169           170 
      1  -0.245825D+02  0.135913D+02 -0.137623D+01  0.135904D+02 -0.398948D+01
      2   0.661617D+01  0.213757D+01 -0.108354D+01 -0.493650D+01  0.128351D+00
      3   0.179663D+02 -0.157289D+02  0.245977D+01 -0.865390D+01  0.386113D+01
      4   0.261944D+02 -0.226443D+02  0.355631D+01 -0.727021D+01  0.755048D+01
      5   0.681959D+00  0.195085D+01 -0.737346D+01  0.720559D+01 -0.503043D+01
      6  -0.220693D+01  0.141044D+01  0.306783D+01 -0.186449D+01  0.206385D+01
               171 
      1   0.322163D+01
      2  -0.251652D+01
      3  -0.705114D+00
      4  -0.547509D+01
      5   0.224447D+01
      6  -0.975509D+00
 Leave Link  716 at Fri Aug 13 11:06:17 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.859180D+02  0.104710D+00 -0.258708D+01
      2   0.104710D+00  0.753602D+02  0.218819D+01
      3  -0.258708D+01  0.218819D+01  0.736878D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.216691D+01  0.795535D+00 -0.727293D+00
      2   0.573768D+01 -0.665603D+01  0.293697D+02
      3   0.661587D+01 -0.247442D+02  0.767968D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.697601D+02 -0.221533D+02  0.134636D+01
      2  -0.383946D+02  0.220259D+02 -0.819092D+01
      3  -0.313655D+02  0.127419D+00  0.684456D+01
      4  -0.248369D+02  0.446814D+02 -0.183983D+02
      5   0.101631D+02 -0.207386D+02  0.587425D+02
      6  -0.520415D+01  0.294277D+01 -0.773713D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.327640D+00  0.220976D+01 -0.326912D+01  0.360249D+01 -0.426266D+01
      2   0.220976D+01 -0.392735D+01  0.138840D+00 -0.426266D+01 -0.247702D+01
      3  -0.326912D+01  0.138840D+00  0.971047D+00 -0.138392D-01 -0.191026D+01
                 6             7             8             9            10 
      1  -0.138392D-01 -0.436769D+01  0.527139D+00 -0.680274D-01  0.182835D+01
      2  -0.191026D+01  0.527139D+00 -0.216972D+01  0.329564D+00 -0.256030D+01
      3   0.406691D+00 -0.680274D-01  0.329564D+00  0.673173D+01  0.379832D+01
                11            12            13            14            15 
      1  -0.256030D+01  0.379832D+01 -0.591806D+01  0.412120D+01  0.220461D+00
      2   0.379232D+01  0.276814D+00  0.412120D+01  0.378345D+01  0.274279D+01
      3   0.276814D+00 -0.347462D+00  0.220461D+00  0.274279D+01  0.205107D+00
                16            17            18            19            20 
      1   0.625594D+01 -0.391101D+00  0.852846D-01 -0.440913D+01  0.406148D+01
      2  -0.391101D+00  0.299153D+01  0.239893D+00  0.406148D+01 -0.164781D+01
      3   0.852846D-01  0.239893D+00 -0.467694D+01 -0.115104D+01  0.429355D+00
                21            22            23            24            25 
      1  -0.115104D+01  0.668259D+01 -0.148763D+01 -0.183761D+00 -0.321610D+01
      2   0.429355D+00 -0.148763D+01 -0.516826D-01 -0.442857D+00  0.529951D+00
      3  -0.312333D+00 -0.183761D+00 -0.442857D+00  0.180099D+01 -0.785736D+00
                26            27            28            29            30 
      1   0.529951D+00 -0.785736D+00  0.184815D+01 -0.253620D+01 -0.101890D+01
      2  -0.183957D+01  0.198844D+01 -0.253620D+01  0.812609D+00  0.164562D+01
      3   0.198844D+01  0.608871D+01 -0.101890D+01  0.164562D+01  0.765838D+00
                31            32            33            34            35 
      1  -0.335222D+01 -0.165703D+00  0.184505D+01 -0.446425D+01  0.151190D+01
      2  -0.165703D+00 -0.315732D+00  0.484635D+00  0.151190D+01 -0.359172D+00
      3   0.184505D+01  0.484635D+00 -0.112755D+01  0.175114D+01 -0.104840D+01
                36            37            38            39            40 
      1   0.175114D+01  0.457017D+01  0.165664D+01 -0.170516D+01  0.104492D+00
      2  -0.104840D+01  0.165664D+01  0.163476D+01 -0.730523D+00  0.131117D+00
      3  -0.313869D+01 -0.170516D+01 -0.730523D+00  0.222877D+00 -0.959517D+00
                41            42            43            44            45 
      1   0.131117D+00 -0.959517D+00 -0.350895D+01 -0.174778D+01 -0.101364D+01
      2  -0.322156D+01 -0.163916D+01 -0.174778D+01 -0.221915D+01 -0.146508D+01
      3  -0.163916D+01 -0.836943D+00 -0.101364D+01 -0.146508D+01 -0.274396D+01
                46            47            48            49            50 
      1   0.125661D+01  0.297264D+01 -0.413200D+01  0.301751D+01 -0.320380D+01
      2   0.297264D+01 -0.299290D+01  0.132135D+00 -0.320380D+01 -0.238007D+01
      3  -0.413200D+01  0.132135D+00  0.658075D+00  0.477636D-01 -0.309394D+01
                51            52            53            54            55 
      1   0.477636D-01 -0.356720D+01 -0.124948D-01  0.335626D+00 -0.347884D+01
      2  -0.309394D+01 -0.124948D-01 -0.261590D+01 -0.103612D+00 -0.703800D+00
      3   0.244884D+00  0.335626D+00 -0.103612D+00  0.330030D+01  0.314613D-01
                56            57            58            59            60 
      1  -0.703800D+00  0.314613D-01 -0.192329D+01 -0.582308D+00  0.142398D+00
      2  -0.662020D+00 -0.341327D-01 -0.582308D+00  0.422415D+01 -0.147287D+01
      3  -0.341327D-01  0.123722D+01  0.142398D+00 -0.147287D+01 -0.126182D+01
                61            62            63            64            65 
      1  -0.218112D+00 -0.535426D+00  0.763147D+00 -0.649284D+01  0.229479D+01
      2  -0.535426D+00 -0.102160D+01 -0.506062D+00  0.229479D+01 -0.202675D+01
      3   0.763147D+00 -0.506062D+00 -0.354609D+01  0.291312D+01 -0.134203D+01
                66            67            68            69            70 
      1   0.291312D+01  0.412007D+01 -0.198779D+01 -0.114068D+01  0.619460D+01
      2  -0.134203D+01 -0.198779D+01  0.391621D+01  0.187794D+01 -0.856168D+00
      3  -0.206968D+01 -0.114068D+01  0.187794D+01  0.176568D+01 -0.297732D+01
                71            72            73            74            75 
      1  -0.856168D+00 -0.297732D+01  0.609459D+00 -0.740443D+00 -0.106636D+01
      2   0.255212D+01  0.214379D+01 -0.740443D+00  0.382099D+00  0.230274D-01
      3   0.214379D+01  0.628272D+01 -0.106636D+01  0.230274D-01  0.182246D+00
                76            77            78            79            80 
      1  -0.120488D+01  0.222220D+00  0.675174D-01 -0.137999D+01 -0.963425D-01
      2   0.222220D+00 -0.232121D+00 -0.124195D+01 -0.963425D-01 -0.162472D+01
      3   0.675174D-01 -0.124195D+01 -0.717425D+00  0.185171D+00 -0.754515D+00
                81            82            83            84            85 
      1   0.185171D+00 -0.127067D+01 -0.973958D+00 -0.971804D+00 -0.114637D+01
      2  -0.754515D+00 -0.973958D+00 -0.142145D+01 -0.130753D+00 -0.121901D+01
      3  -0.862011D+01 -0.971804D+00 -0.130753D+00 -0.409198D+00 -0.843465D-01
                86            87            88            89            90 
      1  -0.121901D+01 -0.843465D-01 -0.129648D+01 -0.112330D+00 -0.206937D+00
      2  -0.773186D+01 -0.155783D+01 -0.112330D+00 -0.169780D+01 -0.156240D+01
      3  -0.155783D+01 -0.166784D+01 -0.206937D+00 -0.156240D+01 -0.570501D+00
                91            92            93            94            95 
      1  -0.729153D+01 -0.350445D+01  0.240646D+00 -0.211167D+01 -0.177199D+01
      2  -0.350445D+01 -0.280424D+01 -0.157443D-01 -0.177199D+01 -0.219399D+01
      3   0.240646D+00 -0.157443D-01 -0.108532D+01  0.172371D+00 -0.231608D-01
                96            97            98            99           100 
      1   0.172371D+00  0.246711D+01  0.138338D+01 -0.960113D+00 -0.110278D+01
      2  -0.231608D-01  0.138338D+01  0.108283D+01 -0.581238D+00  0.185426D+00
      3  -0.605335D+00 -0.960113D+00 -0.581238D+00  0.313876D+00  0.557789D+00
               101           102           103           104           105 
      1   0.185426D+00  0.557789D+00  0.471224D+00 -0.336529D+00 -0.167131D+00
      2  -0.129501D+01 -0.343818D+00 -0.336529D+00  0.146771D+01  0.913849D+00
      3  -0.343818D+00 -0.161727D+01 -0.167131D+00  0.913849D+00  0.170040D+01
               106           107           108           109           110 
      1   0.152497D+01 -0.887063D-01 -0.955900D+00  0.559472D+01  0.226668D+01
      2  -0.887063D-01  0.221345D+01  0.186671D+01  0.226668D+01  0.265609D+01
      3  -0.955900D+00  0.186671D+01  0.385336D+01 -0.412691D+00  0.107740D+00
               111           112           113           114           115 
      1  -0.412691D+00  0.225856D+01  0.117401D+01  0.271146D+00 -0.753681D+00
      2   0.107740D+00  0.117401D+01  0.190868D+01 -0.881403D-01  0.251783D+00
      3   0.682009D+00  0.271146D+00 -0.881403D-01  0.700668D+00  0.350227D+00
               116           117           118           119           120 
      1   0.251783D+00  0.350227D+00  0.926608D+00  0.685816D+00  0.107495D+01
      2  -0.407775D+00  0.556272D+00  0.685816D+00  0.130719D+01  0.510326D+00
      3   0.556272D+00 -0.288014D+00  0.107495D+01  0.510326D+00  0.856102D+00
               121           122           123           124           125 
      1   0.134835D+01  0.123622D+01  0.874863D+00  0.841232D+00  0.393858D+00
      2   0.123622D+01  0.487001D+01  0.192340D+01  0.393858D+00  0.158138D+01
      3   0.874863D+00  0.192340D+01  0.296775D+01  0.490866D+00  0.140680D+01
               126           127           128           129           130 
      1   0.490866D+00 -0.490189D+01 -0.115835D+01  0.227384D+01 -0.118576D+01
      2   0.140680D+01 -0.115835D+01 -0.105173D+01  0.872362D+00 -0.540270D+00
      3   0.162729D+01  0.227384D+01  0.872362D+00 -0.325326D+01  0.506981D+00
               131           132           133           134           135 
      1  -0.540270D+00  0.506981D+00  0.198403D+01  0.499027D+00 -0.182966D+01
      2  -0.685105D+00  0.112961D+01  0.499027D+00  0.934381D+00 -0.691588D+00
      3   0.112961D+01 -0.981344D+00 -0.182966D+01 -0.691588D+00  0.258738D+01
               136           137           138           139           140 
      1   0.383602D+01 -0.243599D+01  0.240186D+01 -0.272677D+01  0.241119D+01
      2  -0.243599D+01  0.245626D+01 -0.134630D+01  0.241119D+01 -0.316827D+01
      3   0.240186D+01 -0.134630D+01  0.231082D+01 -0.136340D+01  0.217518D+01
               141           142           143           144           145 
      1  -0.136340D+01  0.144850D+01 -0.901554D+00  0.152443D+01  0.198523D-01
      2   0.217518D+01 -0.901554D+00  0.146623D+01 -0.146724D+01 -0.193094D+00
      3  -0.232216D+01  0.152443D+01 -0.146724D+01  0.189385D+01 -0.680355D+00
               146           147           148           149           150 
      1  -0.193094D+00 -0.680355D+00 -0.493775D+00  0.681351D+00  0.645429D-01
      2   0.207092D+00  0.398667D-03  0.681351D+00  0.196017D-02 -0.876592D+00
      3   0.398667D-03 -0.727416D-01  0.645429D-01 -0.876592D+00 -0.382813D+00
               151           152           153           154           155 
      1  -0.193771D+01  0.129400D+00  0.183642D+01  0.213073D+01  0.145564D+01
      2   0.129400D+00 -0.114032D+01 -0.296563D+00  0.145564D+01  0.203167D+01
      3   0.183642D+01 -0.296563D+00 -0.931466D+01  0.424928D+00  0.894060D-01
               156           157           158           159           160 
      1   0.424928D+00  0.313041D+01  0.234538D+01 -0.152719D+00  0.145592D+01
      2   0.894060D-01  0.234538D+01  0.527609D+01  0.538846D+00  0.320221D+00
      3   0.422660D+00 -0.152719D+00  0.538846D+00  0.127147D+01  0.499757D+00
               161           162           163           164           165 
      1   0.320221D+00  0.499757D+00  0.599937D+01 -0.298229D+01  0.690517D+00
      2   0.118064D+01  0.755041D+00 -0.298229D+01  0.254917D+01 -0.282734D+00
      3   0.755041D+00  0.286392D-01  0.690517D+00 -0.282734D+00  0.858376D+00
               166           167           168           169           170 
      1  -0.467290D+01  0.323500D+01 -0.147695D+00  0.253788D+01 -0.804756D+00
      2   0.323500D+01 -0.299085D+01  0.560501D+00 -0.804756D+00  0.109317D+01
      3  -0.147695D+00  0.560501D+00 -0.116041D+01  0.975275D+00 -0.809817D+00
               171 
      1   0.975275D+00
      2  -0.809817D+00
      3   0.191111D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.319382D+01  0.333483D+01  0.459392D+00  0.428366D+01  0.122719D+01
      2  -0.806051D+01  0.211403D+01  0.100605D+01  0.316880D+01 -0.875967D+01
      3  -0.624267D+01  0.839058D+01  0.117384D+01  0.153002D+02  0.990090D+01
                 6             7             8             9            10 
      1  -0.481429D+00  0.607077D+00  0.328917D+01  0.118511D+01  0.342405D+01
      2   0.818798D+00 -0.808270D+01  0.120794D+01  0.197679D+02  0.713889D+01
      3   0.398503D+01 -0.106281D+01  0.596732D+01 -0.999025D+00  0.542381D+00
                11            12            13            14            15 
      1  -0.954894D+00  0.126583D+00 -0.745616D+00  0.384237D+01 -0.492934D+01
      2  -0.143537D+01  0.429083D+01 -0.395113D+01  0.414492D+01 -0.822611D-01
      3  -0.377376D+01 -0.170309D+01  0.191624D+01 -0.109460D+02 -0.295909D+01
                16            17            18            19            20 
      1  -0.576400D+00  0.178045D+01 -0.260331D+01 -0.254912D+01 -0.252126D+00
      2  -0.248125D+01  0.898040D+00 -0.448505D+01 -0.217052D+01  0.201602D+01
      3  -0.898078D+00 -0.228912D+01 -0.766520D+00  0.754542D+01 -0.598881D+01
                21            22            23            24            25 
      1  -0.154110D+01  0.206461D+01 -0.180711D+00  0.222381D+01 -0.271702D+01
      2   0.213432D+01  0.565642D+01 -0.167958D+01  0.213261D+01 -0.716401D+01
      3   0.755878D+00  0.126268D+01  0.735320D+00 -0.863739D+00 -0.193189D+01
                26            27            28            29            30 
      1   0.481482D+01 -0.218890D+01  0.130044D+01  0.359153D+01  0.187804D+01
      2   0.103271D+01 -0.171353D+01 -0.510549D+01 -0.146169D+01 -0.498519D+01
      3   0.104888D+01  0.358942D+00 -0.925333D+01  0.277459D+01 -0.159337D+01
                31            32            33            34            35 
      1   0.246687D+00 -0.825765D+01 -0.638769D+00  0.715681D+00  0.190651D+01
      2   0.276986D+01  0.176117D+01 -0.157353D-01 -0.938107D+01  0.391593D+00
      3   0.356923D+01  0.398165D+01 -0.196691D+01 -0.555434D+01 -0.666490D+01
                36            37            38            39            40 
      1   0.700233D+01 -0.287791D+01 -0.737813D+00 -0.513226D+00 -0.761213D-01
      2   0.909042D+01  0.562569D+01  0.267934D+01  0.931545D+00 -0.246813D+01
      3  -0.208059D+01 -0.618597D+00 -0.867534D+00  0.758492D+00  0.568105D+01
                41            42            43            44            45 
      1   0.251245D+01 -0.436612D+01  0.259080D+01  0.353090D+01 -0.316789D+01
      2   0.239005D+01  0.220268D+01 -0.491389D+01  0.122869D+01  0.581919D+01
      3  -0.754997D+01 -0.226765D+01  0.246747D+01 -0.240773D+01 -0.270773D+01
                46            47            48            49            50 
      1   0.264629D+01 -0.535906D+01  0.421329D+00 -0.571654D+01 -0.707474D+01
      2  -0.963052D+01 -0.572461D+01  0.123967D+02 -0.413959D+01  0.151052D+01
      3  -0.489902D+01  0.106880D+00  0.197786D+01  0.431369D+01  0.556105D+01
                51            52            53            54            55 
      1  -0.923252D+01 -0.143737D+00 -0.339752D+01  0.291201D+01  0.128642D+01
      2  -0.208289D+00  0.559833D+01  0.195717D+00  0.244524D+01 -0.204448D+01
      3   0.380641D+01  0.192646D+01  0.326305D+01  0.150633D+00 -0.130578D+02
                56            57            58            59            60 
      1   0.226955D+01 -0.260625D+01  0.300400D+00 -0.223386D+01 -0.335878D+01
      2   0.133052D+00  0.250635D+01 -0.856192D+00 -0.184251D+00 -0.123619D+01
      3  -0.690640D+01 -0.564149D+00  0.491138D+01 -0.607294D+00  0.666422D+00
                61            62            63            64            65 
      1  -0.201334D+01  0.680216D+01  0.991578D+01 -0.630891D+00 -0.312593D+01
      2  -0.187742D+01 -0.152971D+00  0.997049D+00 -0.167369D+01  0.232839D+01
      3  -0.252166D+01 -0.157708D+01  0.339839D+01  0.227728D+01 -0.853564D+01
                66            67            68            69            70 
      1   0.123099D+01  0.646240D+00  0.277352D+01 -0.319992D+01 -0.172233D+00
      2   0.946489D+01  0.909177D+00 -0.486535D+01 -0.349434D+01  0.106083D+01
      3  -0.724006D+00  0.869582D+00  0.624883D+01  0.379226D+01  0.380671D+01
                71            72            73            74            75 
      1   0.509140D+01 -0.255491D+01  0.455429D+00 -0.459252D+00  0.338224D+00
      2  -0.354847D+01 -0.138967D+02  0.706811D+00 -0.598006D+00 -0.108671D+00
      3   0.766112D+01  0.355053D+01 -0.185347D+00 -0.451751D-01 -0.476971D+00
                76            77            78            79            80 
      1  -0.590179D+00  0.741418D+00  0.119377D-01  0.367719D+00  0.356708D+01
      2  -0.104132D+01  0.149135D+00 -0.254034D+00 -0.430675D+01 -0.118267D-01
      3   0.150861D+01 -0.152125D+00 -0.211803D+00  0.469820D+00 -0.240042D+00
                81            82            83            84            85 
      1   0.160330D+01 -0.118930D+01  0.837599D-01 -0.608498D+00 -0.234272D+00
      2   0.522680D+00 -0.163019D+01 -0.251846D+00  0.689560D-01 -0.522208D+00
      3  -0.523357D-01  0.345293D+01  0.149558D+01  0.108004D+01  0.555808D+01
                86            87            88            89            90 
      1   0.285122D+00 -0.386470D+01 -0.123624D+00  0.220497D+00 -0.368273D+00
      2  -0.153722D+01 -0.138066D+01 -0.195479D+01 -0.158774D+01 -0.480427D+00
      3   0.865075D+01  0.189708D+01  0.193770D+01  0.173940D+01  0.178568D+01
                91            92            93            94            95 
      1   0.321700D+01  0.193838D+01 -0.174908D+01  0.182963D+01  0.170115D+01
      2  -0.530635D+01 -0.275413D+01  0.355724D+01 -0.231928D+01 -0.161101D+01
      3   0.169477D+01 -0.341551D+01 -0.601303D+00  0.142587D+00 -0.191559D+01
                96            97            98            99           100 
      1  -0.894280D+00 -0.171164D+01 -0.679739D+00  0.119177D+01 -0.178686D+01
      2   0.152374D+01  0.276858D+01  0.165604D+01 -0.222017D+01  0.541783D+00
      3   0.427035D-01  0.392947D-01  0.164736D+01 -0.301765D+00 -0.244379D+01
               101           102           103           104           105 
      1   0.686422D-01  0.412524D+01 -0.241009D-02 -0.196888D+01 -0.460911D+01
      2   0.558004D+00  0.819503D-01  0.408193D+00  0.143824D+00  0.494343D-01
      3  -0.800543D+00  0.146603D+01  0.573662D+00 -0.840992D+00 -0.299772D+00
               106           107           108           109           110 
      1   0.277035D+01 -0.308936D+01 -0.115203D+02 -0.566051D+00 -0.153876D+01
      2  -0.218773D+01  0.180163D-01 -0.105398D+01  0.234062D+01  0.622325D+00
      3   0.475165D+01 -0.304853D+00 -0.311121D+01  0.159443D+02  0.183037D+01
               111           112           113           114           115 
      1  -0.244948D+01 -0.121144D+01 -0.584870D+00 -0.135952D+01 -0.747685D+00
      2   0.173269D+01  0.656192D+00  0.396223D+00  0.988048D+00 -0.907663D+00
      3  -0.554377D+00  0.473956D+01  0.180755D+01  0.774117D+00 -0.150475D+01
               116           117           118           119           120 
      1   0.227868D+00 -0.563632D+00  0.193991D+01  0.283846D+01  0.108643D+01
      2   0.485970D+00  0.116915D+00  0.219797D+00 -0.578501D+00  0.557702D+00
      3   0.578301D+00  0.303980D+00 -0.694110D+00 -0.277782D+01 -0.100726D+01
               121           122           123           124           125 
      1   0.236718D+01  0.128033D+02  0.265346D+01  0.133018D+01  0.489784D+01
      2  -0.242105D+01  0.282556D+00  0.320948D+01 -0.211517D+01  0.947169D+00
      3   0.132912D+00 -0.794688D+01 -0.228695D+01 -0.587797D+00 -0.183864D+01
               126           127           128           129           130 
      1   0.314449D+01 -0.214790D+00 -0.244160D+01 -0.124499D+01 -0.929536D+00
      2   0.106491D+01  0.150967D+02  0.298609D+01 -0.571884D+01  0.272036D+01
      3  -0.219099D+01  0.526921D+01  0.179961D+00 -0.191646D+01  0.233747D+01
               131           132           133           134           135 
      1  -0.790324D-01  0.261945D+00 -0.390097D+00  0.244480D+01  0.532232D+00
      2   0.219244D+01 -0.168034D+01 -0.799578D+01 -0.182281D+01  0.535317D+01
      3   0.665040D+00 -0.143208D+01 -0.186475D+01 -0.531358D+00  0.191670D+01
               136           137           138           139           140 
      1  -0.256114D+01  0.446113D+01  0.419492D+00  0.336563D+01 -0.450598D+01
      2  -0.405485D+01  0.244198D+01  0.120034D+01  0.389970D+01 -0.129723D+01
      3  -0.289084D+00 -0.314689D+01  0.270035D+00  0.350793D+00  0.320870D+01
               141           142           143           144           145 
      1   0.350051D+00 -0.618734D+00  0.271308D+01 -0.690151D+00 -0.176245D+00
      2  -0.154669D+01 -0.255525D+01  0.310520D-01  0.312850D+00 -0.238233D+01
      3  -0.198783D+01 -0.478855D+00 -0.183453D+01  0.801121D+00  0.745521D+00
               146           147           148           149           150 
      1  -0.102800D+00 -0.575821D-01 -0.497010D+00 -0.330656D+00 -0.236470D+00
      2  -0.113351D+00  0.361876D+00 -0.297795D+00 -0.122334D+01 -0.892031D+00
      3  -0.118131D+01  0.273284D+00 -0.752149D+00 -0.593314D+00  0.194443D+01
               151           152           153           154           155 
      1   0.423196D+00  0.372396D+01 -0.273189D+01 -0.107959D+01 -0.173358D+01
      2  -0.614485D+00 -0.626526D+00 -0.229744D+02  0.270367D+01  0.157683D+01
      3   0.503959D+00  0.318490D+01  0.288919D+00 -0.448346D+01 -0.683952D+01
               156           157           158           159           160 
      1  -0.773973D+00 -0.177751D+01 -0.391473D+01 -0.243008D+01 -0.328248D+00
      2   0.238099D+01  0.156911D+01  0.400956D+01  0.448479D+01  0.957669D+00
      3  -0.401428D+00 -0.411879D+01 -0.179405D+02 -0.208811D+01 -0.386267D+00
               161           162           163           164           165 
      1   0.278252D+00 -0.989975D+00  0.255618D+01 -0.188048D+01  0.145846D+01
      2   0.223422D+01  0.774315D+00  0.639152D+01 -0.344388D+01  0.498721D+01
      3  -0.397792D+01 -0.207661D+01  0.464331D+01 -0.818123D+01  0.692397D+00
               166           167           168           169           170 
      1  -0.202991D+01  0.214993D+01 -0.274711D+01  0.789846D+00 -0.439987D+00
      2  -0.374112D+01  0.417726D+01 -0.461902D+01  0.319163D+01 -0.262922D+01
      3  -0.533590D+01  0.778525D+01 -0.183800D+01  0.888137D+00 -0.342414D+01
               171 
      1   0.986766D+00
      2   0.185317D+01
      3   0.173188D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.858497D+00  0.118928D+02 -0.168920D+02  0.133534D+02 -0.257087D+02
      2  -0.659284D+01 -0.419778D+01  0.794259D+01 -0.448464D+01  0.768637D+01
      3   0.573434D+01 -0.769503D+01  0.894938D+01 -0.886881D+01  0.180223D+02
      4   0.150276D+02 -0.229475D+02  0.272385D+01 -0.302436D+02 -0.995751D+01
      5  -0.181530D+02 -0.599409D+00  0.618373D+01 -0.127933D+01 -0.757497D+01
      6   0.582023D+00  0.268164D+01 -0.786487D+00  0.222129D+01  0.377299D+01
                 6             7             8             9            10 
      1  -0.258438D+00 -0.208627D+02  0.265599D+01  0.125699D+02 -0.919216D+01
      2   0.124565D+01  0.663348D+01  0.200676D+00  0.794857D+01  0.410414D+00
      3  -0.987210D+00  0.142293D+02 -0.285667D+01 -0.205185D+02  0.878174D+01
      4  -0.956072D+01  0.518661D+01 -0.121751D+02  0.229592D+01 -0.534351D+01
      5   0.126784D+01  0.272790D+01  0.148839D+01  0.287256D+02  0.141758D+02
      6   0.151913D+01  0.200362D+00  0.173985D+01 -0.659246D+01 -0.435697D+01
                11            12            13            14            15 
      1  -0.174817D+01  0.123562D+02 -0.235047D+01  0.178736D+02  0.371702D+01
      2  -0.857721D+00 -0.844834D+01  0.166383D+00 -0.216609D+02 -0.542446D+01
      3   0.260589D+01 -0.390787D+01  0.218409D+01  0.378728D+01  0.170744D+01
      4   0.825741D+01 -0.232333D+01  0.157465D+02  0.284973D+01  0.410535D+01
      5   0.402515D+00 -0.217170D+01  0.606706D+00  0.421520D+01  0.223282D+00
      6  -0.292490D-01  0.395724D+00  0.164477D+00 -0.852113D+01  0.269969D+01
                16            17            18            19            20 
      1   0.156780D+02  0.117352D+01  0.225718D+01 -0.351025D+01 -0.143797D+01
      2  -0.769296D+01 -0.395197D+01 -0.139167D+01  0.719836D+01 -0.152970D+01
      3  -0.798502D+01  0.277845D+01 -0.865502D+00 -0.368811D+01  0.296767D+01
      4  -0.434287D+01  0.505668D+01  0.964191D+00  0.232691D+00 -0.124460D+01
      5  -0.126054D+01  0.130716D+01 -0.113573D+02 -0.455356D+01 -0.757916D+00
      6  -0.411421D+00 -0.185893D+01  0.373319D+01  0.128875D+01 -0.150991D+00
                21            22            23            24            25 
      1  -0.202118D+01  0.279908D+01 -0.217542D+00  0.118069D+01 -0.733468D+01
      2   0.347722D+01 -0.404762D+01 -0.395494D+00  0.319624D+01  0.370069D+01
      3  -0.145605D+01  0.124854D+01  0.613036D+00 -0.437694D+01  0.363399D+01
      4   0.609121D+00 -0.104284D+02  0.335024D+01 -0.156268D+01  0.296518D+01
      5   0.197308D+01  0.408260D+00  0.892699D+00  0.356159D+01  0.198950D+01
      6  -0.105350D+00 -0.232351D+01  0.336661D+01 -0.611709D+01 -0.939653D+00
                26            27            28            29            30 
      1   0.565635D+01  0.823032D+01 -0.820729D+01  0.841844D+01  0.228936D+00
      2  -0.222527D+01  0.157865D+02  0.355330D+01 -0.616405D+01 -0.373048D+01
      3  -0.343108D+01 -0.240168D+02  0.465399D+01 -0.225439D+01  0.350155D+01
      4  -0.121386D+00 -0.145253D+01  0.725239D+01 -0.941523D+01 -0.783817D+01
      5  -0.491402D+00  0.160429D+00  0.701643D+01 -0.742055D+01 -0.123229D+02
      6   0.418770D+01 -0.107066D+01 -0.488246D+01  0.110468D+01 -0.215032D+01
                31            32            33            34            35 
      1   0.132878D+02  0.345818D+01 -0.376918D+01  0.153034D+02 -0.217417D+01
      2  -0.764583D+01 -0.613597D+01  0.832303D+01 -0.859405D+01 -0.359684D+01
      3  -0.564194D+01  0.267779D+01 -0.455385D+01 -0.670939D+01  0.577101D+01
      4  -0.516923D+01 -0.235005D+01 -0.477390D+00 -0.100264D+02  0.761540D+01
      5  -0.157459D+02  0.192477D+00 -0.296285D+01 -0.115691D+02  0.134012D+01
      6  -0.285957D+01 -0.674090D+01 -0.218870D+01 -0.913044D+00 -0.216532D+01
                36            37            38            39            40 
      1  -0.681837D+01 -0.163983D+02 -0.771079D+01  0.721036D+01 -0.634367D+01
      2   0.570591D+01  0.318530D+01  0.304769D+01 -0.439871D+01  0.272662D+01
      3   0.111247D+01  0.132130D+02  0.466310D+01 -0.281165D+01  0.361705D+01
      4   0.380378D+01 -0.139935D+02 -0.324850D+01  0.606950D+01  0.557480D+01
      5   0.150271D+02  0.754599D+01  0.362194D+01  0.752370D+01  0.780601D+01
      6  -0.547977D+01  0.521786D+01  0.238104D+01  0.140560D+01  0.541829D+01
                41            42            43            44            45 
      1  -0.151629D+02 -0.119410D+01  0.124351D+02  0.130245D+01 -0.428457D+01
      2   0.205853D+02  0.213562D+00 -0.491668D+01  0.242303D+01 -0.401619D+01
      3  -0.542238D+01  0.980538D+00 -0.751847D+01 -0.372548D+01  0.830076D+01
      4   0.143641D+02  0.730893D+01  0.135639D+02  0.109615D+02  0.496065D+01
      5   0.748171D+01  0.753687D+01  0.117856D+02  0.783102D+01  0.144457D+02
      6   0.859751D+01  0.941678D+01  0.301576D+01  0.981962D+01  0.882874D+01
                46            47            48            49            50 
      1   0.115553D+02  0.626861D+01 -0.105678D+02  0.524611D+01 -0.405680D+01
      2  -0.843970D+00  0.609898D-01  0.258701D+01  0.250929D+00  0.957213D+01
      3  -0.107114D+02 -0.632960D+01  0.798076D+01 -0.549704D+01 -0.551533D+01
      4   0.568645D+01 -0.133447D+02  0.827978D+01 -0.148993D+02 -0.212705D+01
      5  -0.498849D+01  0.976455D+01 -0.113050D+02  0.791528D+01 -0.177557D+02
      6   0.150616D+02 -0.106386D+02 -0.298902D+00 -0.120859D+02 -0.509564D+01
                51            52            53            54            55 
      1   0.954621D+00 -0.983646D+01 -0.363177D+00 -0.749225D+01  0.145078D+01
      2   0.312243D+01  0.242005D+01  0.229870D+01 -0.598706D+01 -0.334921D+01
      3  -0.407705D+01  0.741641D+01 -0.193553D+01  0.134793D+02  0.189843D+01
      4  -0.111846D+02  0.665565D+01 -0.817103D+01 -0.599259D-01 -0.178313D+02
      5   0.584007D+00 -0.113899D+02 -0.671995D+00  0.996516D+01  0.554819D+01
      6  -0.133902D+02 -0.202416D+00 -0.979745D+01 -0.840047D+00 -0.160563D+01
                56            57            58            59            60 
      1  -0.410018D+00  0.135808D+01 -0.251922D+01 -0.203746D+02  0.357393D+01
      2  -0.388576D+01 -0.127520D+01  0.480484D+00  0.307312D+02 -0.565733D+01
      3   0.429578D+01 -0.828812D-01  0.203873D+01 -0.103566D+02  0.208341D+01
      4  -0.165639D+01 -0.223192D+01  0.307732D+01 -0.428751D+01  0.905824D+00
      5  -0.131324D+01  0.388983D+01 -0.135395D+00  0.271353D-01 -0.273882D+01
      6   0.182369D+00  0.358024D+01  0.118273D+01 -0.678909D+01  0.649138D+01
                61            62            63            64            65 
      1   0.820416D+00  0.612269D+01 -0.725489D+00  0.344817D+02 -0.857487D+01
      2  -0.283334D+01 -0.423676D+01 -0.596676D+01 -0.185995D+02  0.306635D+01
      3   0.201292D+01 -0.188593D+01  0.669225D+01 -0.158822D+02  0.550851D+01
      4  -0.279800D+01  0.345089D+00  0.290332D+01 -0.140068D+02  0.174210D+02
      5   0.334597D+01  0.504986D-02  0.145474D+01 -0.170851D+02  0.745430D+01
      6   0.249597D+01  0.136078D+01 -0.169068D+02  0.229808D+01 -0.294096D+01
                66            67            68            69            70 
      1  -0.885286D+01 -0.132616D+02  0.103763D+01  0.101014D+01 -0.155160D+02
      2   0.942028D+01  0.542174D+01  0.513569D+01 -0.218759D+01  0.104019D+02
      3  -0.567423D+00  0.783983D+01 -0.617332D+01  0.117744D+01  0.511406D+01
      4   0.754533D+01  0.158284D+02 -0.165042D+02 -0.908987D+01  0.542333D+01
      5   0.193867D+02  0.750772D+01 -0.930372D+01 -0.679420D+01  0.217915D+02
      6  -0.184441D+01 -0.398373D+01  0.355921D+01  0.767194D+01 -0.310336D+01
                71            72            73            74            75 
      1  -0.405433D+00  0.197190D+01  0.101459D+01  0.288165D+00 -0.613779D-01
      2   0.348430D+00 -0.146132D+02 -0.483687D+01  0.243350D+00  0.123139D+00
      3   0.570024D-01  0.126413D+02  0.382229D+01 -0.531515D+00 -0.617615D-01
      4  -0.132747D+02 -0.105487D+02 -0.397856D+00  0.163462D+01 -0.373231D+00
      5  -0.885415D+01 -0.294744D+02 -0.373540D-01  0.357330D+00  0.606650D+01
      6   0.769871D+01  0.411692D+01 -0.297907D+00  0.451465D+00 -0.357582D+00
                76            77            78            79            80 
      1   0.715502D+00 -0.338933D+01 -0.103182D+01  0.113695D+01  0.186464D+00
      2   0.208978D+00 -0.104651D+01 -0.275995D+01  0.168215D+00 -0.406644D+01
      3  -0.924480D+00  0.443584D+01  0.379177D+01 -0.130516D+01  0.387998D+01
      4   0.233441D+01 -0.241215D+00  0.349736D+00  0.107826D+00 -0.266777D-03
      5   0.382083D+00 -0.170774D+00 -0.255791D+00  0.536518D+01  0.265073D-01
      6   0.620863D+00  0.572027D+00  0.689244D+01  0.790513D+00  0.479327D+01
                81            82            83            84            85 
      1  -0.190517D+02 -0.729644D+00 -0.395538D+01 -0.245771D+01 -0.531730D+01
      2  -0.187745D+02  0.395839D+01  0.515781D+01  0.208153D+01  0.559071D+01
      3   0.378262D+02 -0.322874D+01 -0.120244D+01  0.376182D+00 -0.273415D+00
      4   0.958269D+00  0.897381D+00  0.358405D+01  0.947100D+00  0.287672D+01
      5   0.440465D+00 -0.156141D+01  0.794487D+00  0.995176D+00  0.126053D+01
      6  -0.151323D+01  0.176488D+01  0.153567D+01  0.845736D+00  0.117193D+01
                86            87            88            89            90 
      1  -0.191093D+02 -0.268899D+01 -0.368931D+01 -0.382822D+01 -0.490424D+01
      2   0.302997D+02  0.540922D+01  0.235259D+01  0.429879D+01  0.318612D+01
      3  -0.111904D+02 -0.272023D+01  0.133672D+01 -0.470575D+00  0.171811D+01
      4  -0.934448D+01 -0.198529D+01  0.610515D+00 -0.218255D+01 -0.160271D+01
      5  -0.217470D+01 -0.328076D+01  0.208032D+01 -0.215406D+01 -0.119474D+00
      6   0.814468D+01  0.680580D+01  0.135305D+01  0.835084D+01  0.421297D+01
                91            92            93            94            95 
      1   0.356569D+02  0.137486D+02 -0.225177D+01  0.605716D+01  0.466629D+01
      2  -0.123858D+02 -0.227696D+01  0.587565D-02  0.808031D+00  0.239320D+01
      3  -0.232711D+02 -0.114716D+02  0.224589D+01 -0.686519D+01 -0.705949D+01
      4   0.266230D+02  0.176225D+02 -0.704915D+00  0.124534D+02  0.118232D+02
      5   0.265601D+01  0.161547D+01  0.498257D+01  0.556640D+00  0.881827D+00
      6  -0.102042D+01  0.213258D+00  0.228259D+01  0.331012D+00  0.362716D+00
                96            97            98            99           100 
      1  -0.612272D+00 -0.108410D+02 -0.501044D+01  0.327683D+01  0.190152D-01
      2  -0.280029D+00  0.327758D+01  0.474676D+00 -0.129761D+01  0.362397D+00
      3   0.892302D+00  0.756340D+01  0.453576D+01 -0.197923D+01 -0.381412D+00
      4  -0.409314D+00 -0.962626D+01 -0.663263D+01  0.413551D+01 -0.166869D+01
      5   0.212326D+01  0.511137D+01  0.275206D+01 -0.179259D+01 -0.781484D+00
      6   0.184739D+01  0.323811D+01  0.236190D+01 -0.141977D+01  0.267531D+01
               101           102           103           104           105 
      1   0.310247D+01  0.242050D+00  0.109499D+01 -0.388460D+01 -0.261968D+01
      2  -0.464846D+01 -0.131234D+01 -0.149582D+01  0.619736D+01  0.368289D+01
      3   0.154600D+01  0.107029D+01  0.400828D+00 -0.231276D+01 -0.106321D+01
      4   0.257399D+01  0.201555D+01  0.266832D+01 -0.156063D+01 -0.721810D+00
      5   0.454975D+00  0.780095D+00  0.484885D+00 -0.564604D+00  0.163078D+00
      6  -0.251072D+00 -0.586375D+01 -0.788200D+00  0.382146D+01  0.845954D+01
               106           107           108           109           110 
      1   0.828710D+00 -0.694264D+01 -0.808781D+01  0.545399D+01 -0.267736D+01
      2  -0.256847D+00  0.860195D+01  0.562588D+01  0.411376D+01  0.952881D+01
      3  -0.571863D+00 -0.165931D+01  0.246193D+01 -0.956775D+01 -0.685145D+01
      4   0.414158D+01 -0.788556D+00 -0.373207D+01  0.208031D+02  0.136776D+02
      5   0.127250D+01 -0.708658D+00 -0.317418D+00 -0.398535D+01 -0.940486D+00
      6  -0.465846D+01  0.103218D+02  0.161237D+02 -0.220299D+01 -0.767986D+00
               111           112           113           114           115 
      1  -0.111366D+01  0.580388D+00 -0.150483D+01  0.402317D+00 -0.156966D+01
      2   0.104134D+01  0.402438D+01  0.657397D+01 -0.583496D+00  0.209007D+01
      3   0.723248D-01 -0.460477D+01 -0.506914D+01  0.181179D+00 -0.520415D+00
      4  -0.113432D+01  0.113533D+02  0.811579D+01  0.101221D+01 -0.112227D+01
      5   0.251338D+01 -0.341378D+00 -0.471391D+00  0.140970D+01  0.318804D+01
      6   0.306621D+01  0.566752D+00 -0.656258D+00  0.282087D+01  0.155200D+01
               116           117           118           119           120 
      1   0.570306D+00 -0.713946D+00  0.228913D+01  0.209113D+01  0.166546D+01
      2   0.236438D+00  0.723964D+00 -0.308462D+01 -0.234846D+01 -0.309046D+01
      3  -0.806745D+00 -0.100184D-01  0.795490D+00  0.257326D+00  0.142501D+01
      4   0.647406D+00  0.185063D+01  0.353126D+01  0.645258D+01  0.142689D+01
      5   0.954029D+00 -0.939725D+00  0.573084D+01  0.392465D+01  0.740485D+01
      6   0.339376D+01 -0.384365D+00  0.203353D+01  0.503770D+01  0.203073D+01
               121           122           123           124           125 
      1   0.362969D+01 -0.287544D+01 -0.488254D+01  0.800943D+00 -0.274716D+01
      2  -0.400250D+01 -0.384047D+00 -0.656346D+01 -0.209763D+01 -0.345224D+01
      3   0.372811D+00  0.325948D+01  0.114460D+02  0.129669D+01  0.619940D+01
      4   0.639445D+01  0.132837D+02  0.653116D+01  0.749537D+00  0.445187D+01
      5   0.728933D+01  0.102557D+02  0.105131D+02  0.573052D+01  0.544040D+01
      6   0.557598D+01  0.180209D+02  0.996204D+01  0.227592D+01  0.919115D+01
               126           127           128           129           130 
      1  -0.373610D+01 -0.876678D+01 -0.526783D+01  0.126146D+02 -0.381813D+01
      2  -0.405755D+01  0.122046D+00  0.223659D+01  0.272920D+01  0.204751D+01
      3   0.779365D+01  0.864473D+01  0.303124D+01 -0.153438D+02  0.177062D+01
      4   0.401188D+01  0.559894D+01  0.320496D+01 -0.337097D+01  0.406668D+01
      5   0.589448D+01 -0.124812D+02 -0.359503D+01  0.561583D+01 -0.358421D+01
      6   0.659168D+01 -0.690062D+01 -0.573192D+01  0.702586D+01 -0.322295D+01
               131           132           133           134           135 
      1  -0.409375D+01  0.383704D+01  0.878862D+01  0.347291D+01 -0.108838D+02
      2   0.184317D+01 -0.935724D+00  0.153965D+01 -0.535293D+00 -0.404721D+01
      3   0.225058D+01 -0.290132D+01 -0.103283D+02 -0.293761D+01  0.149310D+02
      4   0.163203D+01  0.441706D+00 -0.254175D+01  0.139770D-01  0.209956D+01
      5   0.843267D-01  0.719754D+00  0.797754D+01  0.146717D+01 -0.475725D+01
      6  -0.384644D+01  0.675573D+01  0.431059D+01  0.599010D+01 -0.589232D+01
               136           137           138           139           140 
      1   0.113578D+02 -0.389533D+01  0.183083D+01 -0.494692D+01 -0.200789D+01
      2  -0.731560D+01  0.192106D+00 -0.567102D+01  0.626275D+00  0.528884D+01
      3  -0.404220D+01  0.370322D+01  0.384019D+01  0.432064D+01 -0.328094D+01
      4  -0.151613D+02  0.139635D+02 -0.826178D+01  0.144806D+02 -0.152918D+02
      5   0.189990D+02 -0.115851D+02  0.161529D+02 -0.126080D+02  0.127112D+02
      6  -0.109806D+02  0.113119D+02 -0.868343D+01  0.105106D+02 -0.145017D+02
               141           142           143           144           145 
      1   0.325076D+01  0.151447D+01  0.218965D+01 -0.186446D+01  0.372572D+00
      2   0.124180D+01 -0.417487D+01  0.103265D+01 -0.424626D+01 -0.231266D+01
      3  -0.449256D+01  0.266040D+01 -0.322230D+01  0.611071D+01  0.194009D+01
      4   0.901791D+01 -0.537538D+01  0.607198D+01 -0.710983D+01 -0.127567D+01
      5  -0.111595D+02  0.118818D+02 -0.768557D+01  0.112130D+02 -0.303916D+01
      6   0.128172D+02 -0.631379D+01  0.963932D+01 -0.930663D+01  0.773386D+00
               146           147           148           149           150 
      1  -0.142371D+01 -0.457026D+01 -0.188134D+01  0.604688D+00 -0.117350D+01
      2   0.541320D+00  0.237742D+01  0.612870D+00 -0.107881D+01  0.530827D+00
      3   0.882387D+00  0.219284D+01  0.126847D+01  0.474122D+00  0.642672D+00
      4   0.268149D+01  0.349894D+00  0.505140D+01 -0.756025D-01 -0.381137D+01
      5   0.174026D+00  0.585514D+01  0.722737D+00 -0.355029D+01 -0.139454D+01
      6   0.108980D+00  0.436352D+00 -0.118705D+01  0.130407D+01  0.625030D+01
               151           152           153           154           155 
      1  -0.788709D+01 -0.100380D+01 -0.125498D+02  0.152628D+02  0.884393D+01
      2   0.825172D+01  0.224266D+00 -0.195198D+02 -0.508306D+01 -0.283402D+01
      3  -0.364631D+00  0.779530D+00  0.320696D+02 -0.101798D+02 -0.600992D+01
      4   0.114647D+01 -0.561568D+01 -0.227145D+01  0.944525D+01  0.152076D+02
      5   0.150806D+02 -0.166061D+01 -0.440576D+02  0.126874D+01  0.263489D+00
      6  -0.182715D+01  0.656665D+01  0.778933D+01 -0.107946D+01 -0.225696D+01
               156           157           158           159           160 
      1   0.281328D+01  0.181872D+02  0.109138D+02  0.221430D+00  0.836456D+01
      2  -0.785384D+00 -0.776505D+01  0.273747D+01  0.142753D+01 -0.360837D+01
      3  -0.202790D+01 -0.104221D+02 -0.136513D+02 -0.164896D+01 -0.475618D+01
      4   0.104535D+01  0.185578D+02  0.290704D+02  0.298686D+01  0.255257D+01
      5   0.319626D+01 -0.192798D+01  0.287296D+01  0.785746D+01  0.360353D+01
      6   0.508343D+00 -0.169319D+01 -0.459321D+01  0.190574D+01  0.110621D+01
               161           162           163           164           165 
      1   0.167539D+01  0.459608D+00  0.415886D+02 -0.174131D+02  0.501929D+01
      2   0.338044D+00 -0.166778D+01 -0.157785D+02  0.459808D+01 -0.134894D+01
      3  -0.201344D+01  0.120817D+01 -0.258101D+02  0.128150D+02 -0.367035D+01
      4   0.624758D+01  0.426857D+01 -0.253147D+02  0.209358D+02 -0.258554D+01
      5   0.474967D+01  0.657635D+00  0.113809D+01 -0.427771D+00  0.696759D+01
      6   0.170264D+01  0.117324D+01  0.163168D+01 -0.224097D+01 -0.148716D+01
               166           167           168           169           170 
      1  -0.245825D+02  0.135913D+02 -0.137623D+01  0.135904D+02 -0.398948D+01
      2   0.661617D+01  0.213757D+01 -0.108354D+01 -0.493650D+01  0.128351D+00
      3   0.179663D+02 -0.157289D+02  0.245977D+01 -0.865390D+01  0.386113D+01
      4   0.261944D+02 -0.226443D+02  0.355631D+01 -0.727021D+01  0.755048D+01
      5   0.681959D+00  0.195085D+01 -0.737346D+01  0.720559D+01 -0.503043D+01
      6  -0.220693D+01  0.141044D+01  0.306783D+01 -0.186449D+01  0.206385D+01
               171 
      1   0.322163D+01
      2  -0.251652D+01
      3  -0.705114D+00
      4  -0.547509D+01
      5   0.224447D+01
      6  -0.975509D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.604592D+00      0.153672D+01      0.512594D+01
   y         -0.648839D+00     -0.164919D+01     -0.550109D+01
   z         -0.552847D-01     -0.140520D+00     -0.468724D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.822684D+02      0.121909D+02      0.135642D+02
   yx         0.708673D+00      0.105015D+00      0.116844D+00
   yy         0.716521D+02      0.106177D+02      0.118138D+02
   zx        -0.279313D+01     -0.413898D+00     -0.460524D+00
   zy         0.252988D+01      0.374890D+00      0.417121D+00
   zz         0.699315D+02      0.103628D+02      0.115301D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.783220D+02      0.116061D+02      0.129136D+02
   aniso      0.128995D+02      0.191151D+01      0.212684D+01
   xx         0.859180D+02      0.127317D+02      0.141660D+02
   yx         0.104710D+00      0.155165D-01      0.172644D-01
   yy         0.753602D+02      0.111672D+02      0.124252D+02
   zx        -0.258708D+01     -0.383365D+00     -0.426552D+00
   zy         0.218819D+01      0.324257D+00      0.360784D+00
   zz         0.736878D+02      0.109194D+02      0.121495D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.86226565          1.26513217          3.58459217
     6          0.45728691          0.54899311          2.15539016
     6          1.13324831         -0.53641276         -0.50075621
     6         -1.23908976         -1.57726423         -1.71160786
     8         -1.95896519         -3.78688209         -0.65227171
     6         -1.37545119          2.77427411          2.01174806
     7          2.31371840          1.19192717         -2.27462878
     8         -2.43033892         -0.56524136         -3.36385055
     1          2.39832729         -2.13975496         -0.17962232
     1         -0.45521485         -0.99158164          3.18819802
     1         -3.52678812         -4.28334591         -1.46217920
     1          0.98993673          2.25459485         -3.15767131
     1          3.57315121          2.34004742         -1.41283401
     1         -0.54095941          4.35578203          0.98180569
     1         -3.13539721          2.26948058          1.06475661
     1         -1.84202862          3.44108070          3.90631371
     1          4.16971419         -0.32612988          3.70913674
     1          3.84871799          2.83518010          2.67392913
     1          2.40937100          1.86981734          5.50335310

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.888583D+00      0.225855D+01      0.753372D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.740583D+02      0.109743D+02      0.122106D+02
   yx         0.426659D+01      0.632243D+00      0.703465D+00
   yy         0.734714D+02      0.108873D+02      0.121138D+02
   zx         0.613267D+01      0.908769D+00      0.101114D+01
   zy         0.112647D+01      0.166925D+00      0.185729D+00
   zz         0.763224D+02      0.113098D+02      0.125839D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.783220D+02      0.116061D+02      0.129136D+02
   aniso      0.128995D+02      0.191151D+01      0.212684D+01
   xx         0.775540D+02      0.114923D+02      0.127869D+02
   yx         0.389549D+01      0.577252D+00      0.642280D+00
   yy         0.768568D+02      0.113890D+02      0.126720D+02
   zx         0.585974D+01      0.868324D+00      0.966141D+00
   zy         0.144643D+01      0.214339D+00      0.238484D+00
   zz         0.805552D+02      0.119370D+02      0.132818D+02

 ----------------------------------------------------------------------
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 THE WORLD IS MADE UP OF THE WILLS, THE WON'TS, AND THE CANT'S:
 THE WILLS DO EVERYTHING,
 THE WON'TS DO NOTHING,
 THE CAN'TS CAN'T DO ANYTHING.

                               -- FROM WALT DISNEY'S "BLACK HOLE"
 Job cpu time:       0 days  2 hours 32 minutes 46.1 seconds.
 Elapsed time:       0 days  0 hours 19 minutes  8.9 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:06:18 2021.
